From 2361c6d9259e7ec8eea97f9bff3b24d105b3662a Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Mon, 5 Nov 2018 17:37:29 +0100 Subject: adjustments for latest lazar version --- Makefile | 71 +- data/PA.id | 1 - data/aid1205.csv | 1155 -- data/carcinogenicity.csv | 1153 -- data/efsa.csv | 1388 +-- data/efsa.id | 2 +- data/hansen.csv | 13024 +++++++++++----------- data/hansen.id | 2 +- data/kazius.csv | 4337 ------- data/kazius.id | 2 +- data/mutagenicity-merged.csv | 8306 -------------- data/mutagenicity-merged.id | 2 +- experiments/pa_carcinogenicity_prediction.json | 1 - experiments/pa_mutagenicity_prediction.json | 1 - experiments/weighted_majority_kazius_sim0.1.id | 1 - experiments/weighted_majority_kazius_sim0.5.id | 1 - experiments/weighted_majority_merged_sim0.1.id | 1 - experiments/weighted_majority_merged_sim0.5.id | 1 - models/mutagenicity-merged.id | 1 - predictions/PA_mutagenicity.id | 0 scripts/crossvalidation-summary.rb | 9 + scripts/drop-database.rb | 5 + scripts/efsa2csv.rb | 29 + scripts/export.rb | 7 + scripts/hansen2csv.rb | 10 + scripts/import-pubchem.rb | 8 + scripts/import.rb | 7 + scripts/json2csv.rb | 28 + scripts/merge.rb | 11 + scripts/model.rb | 7 + scripts/predict.rb | 24 +- scripts/repeated_crossvalidation_summary.rb | 12 +- summaries/pa_carcinogenicity_neighbor_sets.json | 1 - summaries/pa_mutagenicity_neighbor_sets.json | 1 - summaries/weighted_majority_kazius_sim0.1.json | 412 - summaries/weighted_majority_kazius_sim0.5.json | 412 - summaries/weighted_majority_merged_sim0.1.json | 412 - summaries/weighted_majority_merged_sim0.5.json | 412 - 38 files changed, 7374 insertions(+), 23883 deletions(-) delete mode 100644 data/PA.id delete mode 100644 data/aid1205.csv delete mode 100644 data/carcinogenicity.csv delete mode 100644 data/kazius.csv delete mode 100644 data/mutagenicity-merged.csv delete mode 100644 experiments/pa_carcinogenicity_prediction.json delete mode 100644 experiments/pa_mutagenicity_prediction.json delete mode 100644 experiments/weighted_majority_kazius_sim0.1.id delete mode 100644 experiments/weighted_majority_kazius_sim0.5.id delete mode 100644 experiments/weighted_majority_merged_sim0.1.id delete mode 100644 experiments/weighted_majority_merged_sim0.5.id delete mode 100644 predictions/PA_mutagenicity.id create mode 100755 scripts/crossvalidation-summary.rb create mode 100755 scripts/drop-database.rb create mode 100755 scripts/efsa2csv.rb create mode 100755 scripts/export.rb create mode 100755 scripts/hansen2csv.rb create mode 100755 scripts/import-pubchem.rb create mode 100755 scripts/import.rb create mode 100755 scripts/json2csv.rb create mode 100755 scripts/merge.rb create mode 100755 scripts/model.rb delete mode 100644 summaries/pa_carcinogenicity_neighbor_sets.json delete mode 100644 summaries/pa_mutagenicity_neighbor_sets.json delete mode 100644 summaries/weighted_majority_kazius_sim0.1.json delete mode 100644 summaries/weighted_majority_kazius_sim0.5.json delete mode 100644 summaries/weighted_majority_merged_sim0.1.json delete mode 100644 summaries/weighted_majority_merged_sim0.5.json diff --git a/Makefile b/Makefile index 015f075..4db0d26 100644 --- a/Makefile +++ b/Makefile @@ -1,81 +1,67 @@ -data = data/kazius.csv data/efsa.csv data/hansen.csv +summaries = summaries/mutagenicity-merged-crossvalidations.json summaries/carcinogenicity-crossvalidations.json summaries/pa_mutagenicity_neighbor_sets.json summaries/pa_carcinogenicity_neighbor_sets.json -summaries = summaries/weighted_majority_merged_sim0.1.json summaries/weighted_majority_kazius_sim0.1.json summaries/weighted_majority_merged_sim0.5.json summaries/weighted_majority_kazius_sim0.5.json summaries/pa_mutagenicity_neighbor_sets.json summaries/pa_carcinogenicity_neighbor_sets.json +exports = export/mutagenicity-merged.sdf export/pa_mutagenicity.csv export/pa_carcinogenicity.csv -all: $(summaries) +all: $(summaries) $(exports) -# exports - -export/mutagenicity-merged.sdf: data/mutagenicity-merged.id - scripts/export.rb $< sdf > $@ - -export/mutagenicity-merged.csv: data/mutagenicity-merged.id - scripts/export.rb $< > $@ - -export/carcinogenicity.csv: data/carcinogenicity.id - scripts/export.rb $< > $@ +# summaries -summaries/pa_carcinogenicity_neighbor_sets.json: experiments/pa_carcinogenicity_prediction.json +summaries/pa_carcinogenicity_neighbor_sets.json: data/pa_carcinogenicity.json scripts/pa_neighbor_sets.rb $< > $@ -summaries/pa_mutagenicity_neighbor_sets.json: experiments/pa_mutagenicity_prediction.json +summaries/pa_mutagenicity_neighbor_sets.json: data/pa_mutagenicity.json scripts/pa_neighbor_sets.rb $< > $@ -summaries/weighted_majority_kazius_sim0.5.json: experiments/weighted_majority_kazius_sim0.5.id - scripts/repeated_crossvalidation_summary.rb $< > $@ +summaries/mutagenicity-merged-crossvalidations.json: models/mutagenicity-merged.id + scripts/crossvalidation-summary.rb $< > $@ -experiments/weighted_majority_kazius_sim0.5.id: data/kazius.csv - scripts/repeated_crossvalidation.rb $< > $@ +summaries/carcinogenicity-crossvalidations.json: models/carcinogenicity.id + scripts/crossvalidation-summary.rb $< > $@ -summaries/weighted_majority_merged_sim0.5.json: experiments/weighted_majority_merged_sim0.5.id - scripts/repeated_crossvalidation_summary.rb $< > $@ - -experiments/weighted_majority_merged_sim0.5.id: data/mutagenicity-merged.csv - scripts/repeated_crossvalidation.rb $< > $@ +# exports -summaries/weighted_majority_kazius_sim0.1.json: experiments/weighted_majority_kazius_sim0.1.id - scripts/repeated_crossvalidation_summary.rb $< > $@ +export/mutagenicity-merged.sdf: data/mutagenicity-merged.id + scripts/export.rb $< > $@ -experiments/weighted_majority_kazius_sim0.1.id: data/kazius.csv - scripts/repeated_crossvalidation.rb $< > $@ +export/pa_mutagenicity.csv: data/pa_mutagenicity.json + scripts/json2csv.rb $< > $@ -summaries/weighted_majority_merged_sim0.1.json: experiments/weighted_majority_merged_sim0.1.id - scripts/repeated_crossvalidation_summary.rb $< > $@ +export/pa_carcinogenicity.csv: data/pa_carcinogenicity.json + scripts/json2csv.rb $< > $@ -experiments/weighted_majority_merged_sim0.1.id: data/mutagenicity-merged.csv - scripts/repeated_crossvalidation.rb $< > $@ +# predictions -experiments/pa_carcinogenicity.id: data/carcinogenicity.id data/PA.id +data/pa_carcinogenicity.json: models/carcinogenicity.id data/PA.id scripts/predict.rb $^ > $@ -experiments/pa_mutagenicity.id: data/mutagenicity-merged.id data/PA.id +data/pa_mutagenicity.json: models/mutagenicity-merged.id data/PA.id scripts/predict.rb $^ > $@ -# models +# models and validations models/mutagenicity-merged.id: data/mutagenicity-merged.id - scripts/merge.rb $^ > $@ + scripts/model.rb $< > $@ models/carcinogenicity.id: data/carcinogenicity.id - scripts/import-pubchem.rb 1205 + scripts/model.rb $< > $@ # test data data/PA.id: data/PA.sdf - scripts/import.rb $< sdf > $@ + scripts/import.rb $< > $@ # training data -data/mutagenicity-merged.id: data/hansen.id data/kazius.id data/efsa.id +data/mutagenicity-merged.id: data/hansen.id data/efsa.id data/kazius.id scripts/merge.rb $^ > $@ data/carcinogenicity.id: - scripts/import-pubchem.rb 1205 + scripts/import-pubchem.rb 1205 > $@ # kazius data/kazius.id: data/cas_4337.sdf - scripts/import.rb $< sdf > $@ + scripts/import.rb $< > $@ data/cas_4337.sdf: data/cas_4337.zip cd data && unzip cas_4337.zip @@ -113,5 +99,8 @@ data/Mutagenicity_N6512.csv: clean: rm data/*.id +clean_db: + rm data/*.id && scripts/drop-database.rb + cleanall: rm data/* diff --git a/data/PA.id b/data/PA.id deleted file mode 100644 index ac5245a..0000000 --- a/data/PA.id +++ /dev/null @@ -1 +0,0 @@ -5bba45aaca62690b2d24567c diff --git a/data/aid1205.csv b/data/aid1205.csv deleted file mode 100644 index e55632a..0000000 --- a/data/aid1205.csv +++ /dev/null @@ -1,1155 +0,0 @@ -PUBCHEM_RESULT_TAG,PUBCHEM_SID,PUBCHEM_CID,PUBCHEM_ACTIVITY_OUTCOME,PUBCHEM_ACTIVITY_SCORE,PUBCHEM_ACTIVITY_URL,PUBCHEM_ASSAYDATA_COMMENT,ActivityOutcome_CPDBAS_MultiCellCall_Details -RESULT_TYPE,,,,,,,STRING -RESULT_DESCR,,,,,,,"Details pertaining to Activity Outcome: active indicates one or more of the following are listed: multisite active = multiple tumor sites reported from different experiments; multisex active = male and female sexes (possibly of different species) tested positive for one or more tumor sites, possibly from different experiments; multispecies active = multiple species (e.g., rat, mouse, etc) tested positive at one or more tumor sites, possibly from different experiments. Activity Outcome inactive indicates or more of the following are listed: multisex inactive = no tumor sites reported in any experiment AND more than one no positive results entry for male and female sexes (possibly of different species), possibly from different experiments; multispecies inactive = no tumor sites reported in any experiment AND more than one no positive results entry for multiple species (e.g., rat, mouse, etc), possibly from different experiments. " -1,48413127,62805,Active,50,,,multisite active; multisex active -2,48413128,11074431,Inactive,0,,,multisex inactive -3,48413129,177,Active,100,,,multisite active; multisex active; multispecies active -4,48413130,9548611,Active,50,,,multisite active; multisex active -5,48413132,178,Active,100,,,multisite active; multisex active; multispecies active -6,48413133,1983,Active,100,,,multisite active; multisex active; multispecies active -7,48413134,1989,Inactive,0,,,multisex inactive; multispecies inactive -8,48413136,6342,Inactive,0,,,multisex inactive; multispecies inactive -9,48413139,107949,Active,50,,,multisite active; multisex active -10,48413140,71602,Active,30,,,multisex active -11,48413141,122903,Inactive,0,,,multisex inactive -12,48413142,8247,Active,30,,,multisex active -13,48413145,5897,Active,100,,,multisite active; multisex active; multispecies active -14,48413147,2018,Inactive,0,,,multisex inactive; multispecies inactive -15,48413149,44073,Active,50,,,multisite active; multisex active -16,48413150,7847,Inactive,0,,,multisex inactive; multispecies inactive -17,48413151,62477,Inactive,0,,,multisex inactive -18,48413152,9577004,Inactive,0,,,multisex inactive -19,48413153,345512,Active,50,,,multisite active; multisex active -20,48413154,6579,Active,50,,,multisite active; multisex active -21,48413155,6581,Inactive,0,,,multisex inactive -22,48413156,7855,Active,50,,,multisite active; multisex active -23,48413158,457193,Active,30,,,multisex active -24,48413159,12364,Inactive,0,,,multisex inactive; multispecies inactive -25,48413160,5280707,Active,100,,,multisite active; multisex active; multispecies active -26,48413162,14403,Active,100,,,multisite active; multisex active; multispecies active -27,48413163,14421,Active,70,,,multisite active; multispecies active -28,48413164,,Inactive,0,,,multisex inactive; multispecies inactive -29,48413165,30951,Inactive,0,,,multisex inactive -30,48413166,9570071,Inactive,0,,,multisex inactive; multispecies inactive -31,48413168,23691965,Inactive,0,,,multisex inactive -32,48413169,62452,Inactive,0,,,multisex inactive -33,48413170,204,Inactive,0,,,multisex inactive -34,48413171,7858,Inactive,0,,,multisex inactive -35,48413172,7850,Inactive,0,,,multisex inactive -36,48413175,17816,Active,80,,,multisex active; multispecies active -37,48413176,96019,Active,50,,,multisite active; multisex active -38,48413177,171127,Active,50,,,multisite active; multisex active -39,48413178,24856,Inactive,0,,,multisex inactive; multispecies inactive -40,48413179,6681,Active,100,,,multisite active; multisex active; multispecies active -41,48413181,62130,Active,100,,,multisite active; multisex active; multispecies active -42,48413182,8588,Active,100,,,multisite active; multisex active; multispecies active -43,48413183,5284339,Active,30,,,multisex active -44,48413184,6702,Active,100,,,multisite active; multisex active; multispecies active -45,48413185,77406,Active,20,,,multisite active -46,48413186,61205,Active,20,,,multisite active -47,48413187,38052,Active,70,,,multisite active; multispecies active -48,48413188,5284340,Active,50,,,multisite active; multisex active -49,48413193,8486,Active,20,,,multisite active -50,48413195,8341,Active,100,,,multisite active; multisex active; multispecies active -51,48413196,7340,Active,30,,,multisex active -52,48413198,7102,Active,50,,,multisite active; multisex active -53,48413200,19405,Active,50,,,multisite active; multisex active -54,48413202,93296,Inactive,0,,,multisex inactive -55,48413203,1639,Active,100,,,multisite active; multisex active; multispecies active -56,48413204,17083,Active,20,,,multisite active -57,48413207,14923,Inactive,0,,,multisex inactive -58,48413209,6055,Inactive,0,,,multisex inactive; multispecies inactive -59,48413210,23565,Inactive,0,,,multisex inactive; multispecies inactive -60,48413211,82746,Active,50,,,multisite active; multisex active -61,48413214,637563,Inactive,0,,,multisex inactive -62,48413215,7057995,Inactive,0,,,multisex inactive -63,48413216,7541,Inactive,0,,,multisex inactive; multispecies inactive -64,48413218,8870,Active,50,,,multisite active; multisex active -65,48413219,8638,Active,100,,,multisite active; multisex active; multispecies active -66,48413220,2734956,Inactive,0,,,multisex inactive; multispecies inactive -67,48413221,227,Inactive,0,,,multisex inactive; multispecies inactive -68,48413222,6780,Inactive,0,,,multisex inactive -69,48413224,8809,Active,50,,,multispecies active -70,48413225,6107,Active,50,,,multisite active; multisex active -71,48413226,154914,Active,30,,,multisex active -72,48413228,63103,Active,50,,,multisite active; multisex active -73,48413229,40470,Active,100,,,multisite active; multisex active; multispecies active -74,48413230,38018,Active,50,,,multisite active; multisex active -75,48413231,23677060,Inactive,0,,,multispecies inactive -76,48413232,518605,Inactive,0,,,multisex inactive -77,48413233,443495,Inactive,0,,,multispecies inactive -78,48413235,54670067,Inactive,0,,,multisex inactive; multispecies inactive -79,48413236,134601,Inactive,0,,,multisex inactive -80,48413237,2244,Inactive,0,,,multisex inactive; multispecies inactive -81,48413238,,Inactive,0,,,multisex inactive; multispecies inactive -82,48413239,2247,Inactive,0,,,multisex inactive; multispecies inactive -83,48413240,119274,Inactive,0,,,multisex inactive -84,48413241,2256,Active,50,,,multisite active; multisex active -85,48413242,174174,Inactive,0,,,multisex inactive -86,48413243,17170,Active,80,,,multisex active; multispecies active -87,48413244,,Inactive,0,,,multisex inactive -88,48413245,9444,Active,100,,,multisite active; multisex active; multispecies active -89,48413248,2265,Active,20,,,multisite active -90,48413249,65948,Inactive,0,,,multisex inactive; multispecies inactive -91,48413250,33557,Inactive,0,,,multisex inactive -92,48413251,2268,Inactive,0,,,multisex inactive; multispecies inactive -93,48413252,2272,Active,50,,,multisite active; multisex active -94,48413253,33184,Active,20,,,multisite active -95,48413254,123376,Active,20,,,multisite active -96,48413256,35370,Active,50,,,multispecies active -97,48413259,10980,Inactive,0,,,multisex inactive; multispecies inactive -98,48413260,5284346,Inactive,0,,,multisex inactive; multispecies inactive -99,48413261,55784,Active,50,,,multisite active; multisex active -100,48413262,6109982,Inactive,0,,,multisex inactive; multispecies inactive -101,48413263,240,Active,30,,,multisex active -102,48413264,241,Active,100,,,multisite active; multisex active; multispecies active -103,48413265,12496962,Active,30,,,multisex active -104,48413267,7111,Active,70,,,multisite active; multispecies active -105,48413268,10754,Active,50,,,multisite active; multisex active -106,48413269,2336,Active,100,,,multisite active; multisex active; multispecies active -107,48413270,517055,Inactive,0,,,multisex inactive; multispecies inactive -108,48413271,9223,Active,100,,,multisite active; multisex active; multispecies active -109,48413272,7064,Inactive,0,,,multisex inactive; multispecies inactive -110,48413274,8400,Inactive,0,,,multisex inactive; multispecies inactive -111,48413275,4650,Active,30,,,multisex active -112,48413276,8447,Inactive,0,,,multisex inactive -113,48413277,7220,Inactive,0,,,multisex inactive; multispecies inactive -114,48413278,7367,Active,20,,,multisite active -115,48413279,11955,Active,50,,,multisite active; multisex active -116,48413280,8785,Active,50,,,multisite active; multisex active -117,48413281,244,Inactive,0,,,multisex inactive; multispecies inactive -118,48413282,7503,Active,30,,,multisex active -119,48413287,84482,Active,80,,,multisex active; multispecies active -120,48413288,26077,Inactive,0,,,multisex inactive; multispecies inactive -121,48413289,5281872,Inactive,0,,,multisex inactive -122,48413290,7095,Inactive,0,,,multisex inactive -123,48413291,127627,Active,30,,,multisex active -124,48413293,18692,Active,100,,,multisite active; multisex active; multispecies active -125,48413294,93038,Inactive,0,,,multisex inactive -126,48413295,16682746,Inactive,0,,,multisex inactive -127,48413296,7944,Active,50,,,multisite active; multisex active -128,48413302,10967,Active,100,,,multisite active; multisex active; multispecies active -129,48413303,5284348,Active,50,,,multisite active; multisex active -130,48413305,147528,Active,20,,,multisite active -131,48413309,560564,Inactive,0,,,multisex inactive -132,48413311,6623,Inactive,0,,,multisex inactive; multispecies inactive -133,48413312,5359750,Inactive,0,,,multisex inactive; multispecies inactive -134,48413313,5359662,Active,100,,,multisite active; multisex active; multispecies active -135,48413314,6093231,Active,30,,,multisex active -136,48413315,5359722,Active,50,,,multisite active; multisex active -137,48413316,9570455,Active,100,,,multisite active; multisex active; multispecies active -138,48413317,17190,Active,30,,,multisex active -139,48413318,19700,Inactive,0,,,multisex inactive; multispecies inactive -140,48413319,5284351,Inactive,0,,,multisex inactive; multispecies inactive -141,48413320,17734,Active,100,,,multisite active; multisex active; multispecies active -142,48413322,36383,Inactive,0,,,multisex inactive; multispecies inactive -143,48413323,,Inactive,0,,,multisex inactive -144,48413324,7628,Inactive,0,,,multisex inactive -145,48413325,23673461,Active,100,,,multisite active; multisex active; multispecies active -146,48413326,105131,Inactive,0,,,multisex inactive -147,48413328,6359,Active,100,,,multisite active; multisex active; multispecies active -148,48413329,6332,Active,100,,,multisite active; multisex active; multispecies active -149,48413330,10898,Active,30,,,multisex active -150,48413333,7845,Active,100,,,multisite active; multisex active; multispecies active -151,48413334,8133,Active,50,,,multisite active; multisex active -152,48413335,6386,Active,100,,,multisite active; multisex active; multispecies active -153,48413337,8005,Inactive,0,,,multisex inactive; multispecies inactive -154,48413338,6950,Inactive,0,,,multisex inactive -155,48413339,27690,Active,50,,,multisite active; multisex active -156,48413340,7184,Inactive,0,,,multisex inactive -157,48413341,19665,Active,50,,,multisite active; multisex active -158,48413342,6929,Inactive,0,,,multisex inactive -159,48413345,13362,Active,50,,,multisite active; multisex active -160,48413346,8456,Active,80,,,multisex active; multispecies active -161,48413347,31404,Active,20,,,multisite active -162,48413348,23902,Active,50,,,multisite active; multisex active -163,48413349,93308,Active,30,,,multisex active -164,48413350,156920,Active,50,,,multisite active; multisex active -165,48413351,16043,Inactive,0,,,multisex inactive -166,48413352,12902,Inactive,0,,,multisex inactive -167,48413354,11595,Inactive,0,,,multisex inactive; multispecies inactive -168,48413356,7302,Inactive,0,,,multisex inactive; multispecies inactive -169,48413357,10986,Inactive,0,,,multisex inactive; multispecies inactive -170,48413358,24633,Active,50,,,multisite active; multisex active -171,48413359,5284356,Inactive,0,,,multisex inactive -172,48413360,5284357,Inactive,0,,,multisex inactive -173,48413361,24962,Active,30,,,multisex active -174,48413362,16211218,Inactive,0,,,multispecies inactive -175,48413363,689043,Active,100,,,multisite active; multisex active; multispecies active -176,48413364,2519,Inactive,0,,,multisex inactive; multispecies inactive -177,48413368,13144,Inactive,0,,,multisex inactive -178,48413371,2540,Inactive,0,,,multisex inactive -179,48413372,7768,Inactive,0,,,multisex inactive; multispecies inactive -180,48413373,1548943,Active,30,,,multisex active -181,48413374,17038,Active,100,,,multisite active; multisex active; multispecies active -182,48413375,8606,Active,100,,,multisite active; multisex active; multispecies active -183,48413376,11236,Active,50,,,multisite active; multisex active -184,48413377,61002,Active,30,,,multisex active -185,48413378,8480,Inactive,0,,,multisex inactive -186,48413380,6854,Active,50,,,multisite active; multisex active -187,48413381,2566,Inactive,0,,,multisex inactive -188,48413382,5943,Active,100,,,multisite active; multisex active; multispecies active -189,48413383,43256,Active,50,,,multisite active; multisex active -190,48413384,6488,Inactive,0,,,multisex inactive; multispecies inactive -191,48413385,5280489,Inactive,0,,,multisex inactive; multispecies inactive -192,48413387,,Inactive,0,,,multisex inactive; multispecies inactive -193,48413388,16724,Inactive,0,,,multisex inactive -194,48413390,289,Active,80,,,multisex active; multispecies active -195,48413392,2663,Inactive,0,,,multisex inactive; multispecies inactive -196,48413393,83927,Inactive,0,,,multisex inactive -197,48413397,2708,Active,100,,,multisite active; multisex active; multispecies active -198,48413398,,Inactive,0,,,multisex inactive; multispecies inactive -199,48413400,8371,Inactive,0,,,multisex inactive -200,48413401,24860539,Active,30,,,multisex active -201,48413402,24860540,Active,100,,,multisite active; multisex active; multispecies active -202,48413403,5284361,Active,100,,,multisite active; multisex active; multispecies active -203,48413405,61532,Inactive,0,,,multisex inactive -204,48413406,,Inactive,0,,,multisex inactive; multispecies inactive -205,48413407,24526,Inactive,0,,,multisex inactive; multispecies inactive -206,48413409,7578,Active,100,,,multisite active; multisex active; multispecies active -207,48413410,53665,Active,50,,,multisite active; multisex active -208,48413412,6,Inactive,0,,,multisex inactive; multispecies inactive -209,48413413,11241,Active,50,,,multisite active; multisex active -210,48413414,11241,Active,80,,,multisex active; multispecies active -211,48413415,6945,Active,30,,,multisex active -212,48413416,7474,Active,50,,,multisite active; multisex active -213,48413417,21209,Active,100,,,multisite active; multisex active; multispecies active -214,48413418,7263,Active,100,,,multisite active; multisex active; multispecies active -215,48413419,22584,Inactive,0,,,multisex inactive; multispecies inactive -216,48413420,31370,Inactive,0,,,multisex inactive; multispecies inactive -217,48413421,7255,Inactive,0,,,multisex inactive; multispecies inactive -218,48413422,7260,Active,50,,,multisite active; multisex active -219,48413423,18487,Active,30,,,multisex active -220,48413424,6408,Active,50,,,multisite active; multisex active -221,48413425,5694,Active,50,,,multispecies active -222,48413426,68851,Active,80,,,multisex active; multispecies active -223,48413428,10757,Inactive,0,,,multisex inactive; multispecies inactive -224,48413429,8805,Inactive,0,,,multisex inactive; multispecies inactive -225,48413430,7812,Inactive,0,,,multisex inactive; multispecies inactive -226,48413431,5284363,Active,70,,,multisite active; multispecies active -227,48413432,17604,Inactive,0,,,multisex inactive; multispecies inactive -228,48413434,10522,Active,30,,,multisex active -229,48413436,6372,Inactive,0,,,multisex inactive; multispecies inactive -230,48413438,13836,Inactive,0,,,multisex inactive; multispecies inactive -231,48413440,11643,Active,30,,,multisex active -232,48413441,6212,Active,100,,,multisite active; multisex active; multispecies active -233,48413442,7864,Active,50,,,multispecies active -234,48413443,23392,Inactive,0,,,multisex inactive; multispecies inactive -235,48413444,23394,Active,80,,,multisex active; multispecies active -236,48413445,6635,Inactive,0,,,multisex inactive -237,48413446,8800,Active,20,,,multisite active -238,48413447,119175,Inactive,0,,,multisex inactive -239,48413448,25301,Active,20,,,multisite active -240,48413449,16685,Inactive,0,,,multisex inactive -241,48413450,6423,Inactive,0,,,multisex inactive -242,48413451,31369,Active,100,,,multisite active; multisex active; multispecies active -243,48413452,31369,Inactive,0,,,multisex inactive; multispecies inactive -244,48413456,15910,Active,30,,,multisex active -245,48413457,5284365,Active,30,,,multisex active -246,48413458,5284366,Inactive,0,,,multisex inactive; multispecies inactive -247,48413459,2727,Inactive,0,,,multisex inactive; multispecies inactive -248,48413460,,Inactive,0,,,multisex inactive; multispecies inactive -249,48413461,6536776,Inactive,0,,,multisex inactive -250,48413462,6209,Inactive,0,,,multispecies inactive -251,48413464,14012,Inactive,0,,,multisex inactive; multispecies inactive -252,48413465,2950,Active,70,,,multisite active; multispecies active -253,48413466,2756,Inactive,0,,,multisex inactive; multispecies inactive -254,48413467,637511,Inactive,0,,,multisex inactive; multispecies inactive -255,48413468,5284369,Active,100,,,multisite active; multisex active; multispecies active -256,48413469,2763,Active,100,,,multisite active; multisex active; multispecies active -257,48413470,638011,Inactive,0,,,multisex inactive; multispecies inactive -258,48413473,21606566,Active,20,,,multisite active -259,48413475,2796,Active,20,,,multisite active -260,48413477,14992,Inactive,0,,,multisex inactive; multispecies inactive -261,48413479,61444,Active,100,,,multisite active; multisex active; multispecies active -262,48413480,5284371,Inactive,0,,,multisex inactive; multispecies inactive -263,48413482,63257,Inactive,0,,,multisex inactive; multispecies inactive -264,48413484,472181,Inactive,0,,,multisex inactive -265,48413485,4403158,Inactive,0,,,multisex inactive -266,48413486,2871,Inactive,0,,,multisex inactive; multispecies inactive -267,48413487,323,Active,100,,,multisite active; multisex active; multispecies active -268,48413488,7610,Active,30,,,multisex active -269,48413489,8445,Active,100,,,multisite active; multisex active; multispecies active -270,48413491,2724103,Active,100,,,multisite active; multisex active; multispecies active -271,48413492,,Inactive,0,,,multisex inactive; multispecies inactive -272,48413494,10005,Inactive,0,,,multisex inactive -273,48413495,23665706,Active,50,,,multisite active; multisex active -274,48413497,25051,Inactive,0,,,multisex inactive -275,48413498,444041,Inactive,0,,,multisex inactive; multispecies inactive -276,48413499,7967,Inactive,0,,,multisex inactive; multispecies inactive -277,48413500,7232,Inactive,0,,,multisex inactive -278,48413501,2723770,Inactive,0,,,multisex inactive; multispecies inactive -279,48413502,88275,Inactive,0,,,multisex inactive; multispecies inactive -280,48413504,154575,Active,30,,,multisex active -281,48413505,2907,Active,100,,,multisite active; multisex active; multispecies active -282,48413506,5284373,Inactive,0,,,multisex inactive; multispecies inactive -283,48413507,9880,Active,50,,,multisite active; multisex active -284,48413508,60960,Inactive,0,,,multisex inactive -285,48413509,23665583,Active,50,,,multisite active; multisex active -286,48413510,5351166,Active,100,,,multisite active; multisex active; multispecies active -287,48413511,15331,Active,100,,,multisite active; multisex active; multispecies active -288,48413512,2955,Active,20,,,multisite active -289,48413513,4211,Inactive,0,,,multisex inactive -290,48413514,6294,Active,50,,,multisite active; multisex active -291,48413515,3035,Active,80,,,multisex active; multispecies active -292,48413516,3036,Active,100,,,multisite active; multisex active; multispecies active -293,48413517,14410,Active,30,,,multisex active -294,48413518,14410,Inactive,0,,,multisex inactive -295,48413520,5881,Active,30,,,multisex active -296,48413521,14709,Active,30,,,multisex active -297,48413522,12594,Inactive,0,,,multisex inactive -298,48413523,40585,Inactive,0,,,multisex inactive; multispecies inactive -299,48413527,,Inactive,0,,,multisex inactive -300,48413528,,Active,30,,,multisex active -301,48413529,,Inactive,0,,,multisex inactive -302,48413530,,Inactive,0,,,multisex inactive -303,48413531,44293,Active,20,,,multisite active -304,48413532,72884,Inactive,0,,,multisex inactive -305,48413534,8560,Inactive,0,,,multisex inactive; multispecies inactive -306,48413535,21242,Active,50,,,multisite active; multisex active -307,48413536,168474,Active,30,,,multisex active -308,48413537,27821,Active,80,,,multisex active; multispecies active -309,48413539,5284377,Inactive,0,,,multisex inactive; multispecies inactive -310,48413540,38221,Active,100,,,multisite active; multisex active; multispecies active -311,48413541,10855,Inactive,0,,,multisex inactive -312,48413542,69917,Inactive,0,,,multisex inactive -313,48413544,7261,Active,100,,,multisite active; multisex active; multispecies active -314,48413545,71557,Active,100,,,multisite active; multisex active; multispecies active -315,48413546,27324,Inactive,0,,,multisex inactive; multispecies inactive -316,48413547,22856,Inactive,0,,,multisex inactive; multispecies inactive -317,48413548,3016,Inactive,0,,,multisex inactive; multispecies inactive -318,48413549,3017,Inactive,0,,,multisex inactive; multispecies inactive -319,48413552,9216,Inactive,0,,,multisex inactive; multispecies inactive -320,48413554,3036234,Inactive,0,,,multisex inactive -321,48413555,7280,Active,100,,,multisite active; multisex active; multispecies active -322,48413556,5284380,Active,100,,,multisite active; multisex active; multispecies active -323,48413557,7839,Active,100,,,multisite active; multisex active; multispecies active -324,48413558,5284381,Active,100,,,multisite active; multisex active; multispecies active -325,48413559,154903,Inactive,0,,,multisex inactive -326,48413560,92352,Active,20,,,multisite active -327,48413561,16682740,Inactive,0,,,multisex inactive; multispecies inactive -328,48413565,2771871,Inactive,0,,,multisex inactive -329,48413566,16560,Inactive,0,,,multisex inactive -330,48413567,8342,Inactive,0,,,multisex inactive -331,48413568,7430,Inactive,0,,,multisex inactive -332,48413569,11860,Active,30,,,multisex active -333,48413570,6597,Active,80,,,multisex active; multispecies active -334,48413571,24227,Active,100,,,multisite active; multisex active; multispecies active -335,48413572,7239,Inactive,0,,,multisex inactive; multispecies inactive -336,48413573,4685,Active,100,,,multisite active; multisex active; multispecies active -337,48413574,7070,Active,100,,,multisite active; multisex active; multispecies active -338,48413576,642197,Active,30,,,multisex active -339,48413578,36613,Inactive,0,,,multisex inactive; multispecies inactive -340,48413579,6391,Inactive,0,,,multisex inactive; multispecies inactive -341,48413580,6625,Inactive,0,,,multisex inactive; multispecies inactive -342,48413581,6365,Inactive,0,,,multisex inactive; multispecies inactive -343,48413582,11,Active,100,,,multisite active; multisex active; multispecies active -344,48413583,8449,Inactive,0,,,multisex inactive; multispecies inactive -345,48413584,8427,Inactive,0,,,multisex inactive -346,48413585,97971,Inactive,0,,,multisex inactive -347,48413586,1486,Inactive,0,,,multisex inactive; multispecies inactive -348,48413587,7206,Inactive,0,,,multisex inactive -349,48413588,61286,Inactive,0,,,multisex inactive -350,48413589,7173,Inactive,0,,,multisex inactive -351,48413590,3120,Inactive,0,,,multisex inactive -352,48413591,7327,Inactive,0,,,multisex inactive -353,48413592,6564,Active,30,,,multisex active -354,48413593,3039,Active,100,,,multisite active; multisex active; multispecies active -355,48413596,727200,Inactive,0,,,multisex inactive; multispecies inactive -356,48413597,6673,Inactive,0,,,multisex inactive; multispecies inactive -357,48413598,969491,Active,30,,,multisex active -358,48413599,557083,Inactive,0,,,multisex inactive; multispecies inactive -359,48413603,4284,Inactive,0,,,multisex inactive; multispecies inactive -360,48413604,2730,Inactive,0,,,multisex inactive -361,48413607,636417,Inactive,0,,,multisex inactive; multispecies inactive -362,48413611,448537,Active,100,,,multisite active; multisex active; multispecies active -363,48413612,2735009,Active,30,,,multisex active -364,48413613,3009,Inactive,0,,,multisex inactive -365,48413614,12342,Active,30,,,multisex active -366,48413615,30717,Active,50,,,multisite active; multisex active -367,48413616,7586,Active,80,,,multisex active; multispecies active -368,48413620,660,Active,100,,,multisite active; multisex active; multispecies active -369,48413621,7197,Active,100,,,multisite active; multisex active; multispecies active -370,48413624,590836,Active,100,,,multisite active; multisex active; multispecies active -371,48413625,636407,Inactive,0,,,multisex inactive -372,48413627,3082,Inactive,0,,,multisex inactive; multispecies inactive -373,48413628,13232,Active,20,,,multisite active -374,48413629,13232,Inactive,0,,,multisex inactive; multispecies inactive -375,48413630,5377410,Active,70,,,multisite active; multispecies active -376,48413631,5284385,Inactive,0,,,multisex inactive; multispecies inactive -377,48413632,7069,Active,50,,,multisite active; multisex active -378,48413633,62311,Active,100,,,multisite active; multisex active; multispecies active -379,48413638,25815,Inactive,0,,,multisex inactive -380,48413641,6327114,Active,20,,,multisite active -381,48413643,11698,Active,30,,,multisex active -382,48413644,164530,Active,20,,,multisite active -383,48413646,8441,Inactive,0,,,multisex inactive; multispecies inactive -384,48413647,31374,Inactive,0,,,multisex inactive; multispecies inactive -385,48413648,39371,Active,30,,,multisex active -386,48413649,14184,Inactive,0,,,multisex inactive; multispecies inactive -387,48413650,5284387,Active,20,,,multisite active -388,48413651,22499,Inactive,0,,,multisex inactive -389,48413652,6009,Inactive,0,,,multisex inactive -390,48413654,5284388,Active,20,,,multisite active -391,48413660,108938,Active,100,,,multisite active; multisex active; multispecies active -392,48413661,6598,Active,100,,,multisite active; multisex active; multispecies active -393,48413662,221511,Inactive,0,,,multisex inactive -394,48413663,15433,Inactive,0,,,multisex inactive -395,48413664,6228,Inactive,0,,,multisex inactive; multispecies inactive -396,48413665,5976,Active,100,,,multisite active; multisex active; multispecies active -397,48413666,9380,Active,100,,,multisite active; multisex active; multispecies active -398,48413667,92248,Active,20,,,multisite active -399,48413668,20120,Active,50,,,multisite active; multisex active -400,48413670,10555,Active,100,,,multisite active; multisex active; multispecies active -401,48413671,147300,Inactive,0,,,multisex inactive -402,48413672,5284389,Inactive,0,,,multisex inactive -403,48413676,41473,Active,20,,,multisite active -404,48413678,8819,Active,30,,,multisex active -405,48413681,8461,Active,100,,,multisite active; multisex active; multispecies active -406,48413682,8461,Inactive,0,,,multisex inactive; multispecies inactive -407,48413684,31275,Active,100,,,multisite active; multisex active; multispecies active -408,48413685,6531,Inactive,0,,,multisex inactive; multispecies inactive -409,48413686,70414,Inactive,0,,,multisex inactive -410,48413687,252237,Active,30,,,multisex active -411,48413688,8980,Inactive,0,,,multisex inactive; multispecies inactive -412,48413689,6319,Inactive,0,,,multisex inactive; multispecies inactive -413,48413690,6837,Inactive,0,,,multisex inactive -414,48413691,7597,Inactive,0,,,multisex inactive -415,48413694,6537503,Inactive,0,,,multisex inactive; multispecies inactive -416,48413695,522325,Active,30,,,multisex active -417,48413696,20819,Inactive,0,,,multisex inactive -418,48413697,2724564,Inactive,0,,,multisex inactive; multispecies inactive -419,48413700,17110,Inactive,0,,,multisex inactive -420,48413703,38668,Inactive,0,,,multisex inactive -421,48413704,11224,Active,100,,,multisite active; multisex active; multispecies active -422,48413705,19212,Active,50,,,multisite active; multisex active -423,48413706,,Inactive,0,,,multisex inactive; multispecies inactive -424,48413707,,Inactive,0,,,multisex inactive; multispecies inactive -425,48413708,5284392,Inactive,0,,,multisex inactive; multispecies inactive -426,48413709,163838,Inactive,0,,,multisex inactive; multispecies inactive -427,48413711,,Active,50,,,multisite active; multisex active -428,48413713,3220,Inactive,0,,,multisex inactive; multispecies inactive -429,48413714,,Inactive,0,,,multisex inactive; multispecies inactive -430,48413715,3224,Inactive,0,,,multisex inactive; multispecies inactive -431,48413716,12358480,Inactive,0,,,multisex inactive; multispecies inactive -432,48413717,3226,Inactive,0,,,multisex inactive -433,48413719,6231,Inactive,0,,,multisex inactive -434,48413720,5359318,Inactive,0,,,multisex inactive; multispecies inactive -435,48413721,7835,Active,30,,,multisex active -436,48413724,7834,Active,20,,,multisite active -437,48413725,54680695,Inactive,0,,,multisex inactive; multispecies inactive -438,48413726,5284394,Inactive,0,,,multisex inactive; multispecies inactive -439,48413727,3261,Inactive,0,,,multisex inactive; multispecies inactive -440,48413729,31586,Active,50,,,multisite active; multisex active -441,48413734,6205,Active,80,,,multisex active; multispecies active -442,48413737,3293,Inactive,0,,,multisex inactive -443,48413738,8821,Active,80,,,multisex active; multispecies active -444,48413739,702,Active,20,,,multisite active -445,48413740,519246,Active,20,,,multisite active -446,48413741,152160,Active,20,,,multisite active -447,48413744,6295,Inactive,0,,,multisex inactive; multispecies inactive -448,48413745,53145,Active,50,,,multisite active; multisex active -449,48413746,6501,Inactive,0,,,multisex inactive -450,48413747,5359974,Active,20,,,multisite active -451,48413748,12967,Active,50,,,multisite active; multisex active -452,48413749,519829,Inactive,0,,,multisex inactive; multispecies inactive -453,48413751,7500,Active,100,,,multisite active; multisex active; multispecies active -454,48413752,174,Inactive,0,,,multisex inactive -455,48413754,9033,Active,50,,,multisite active; multisex active -456,48413755,6354,Active,100,,,multisite active; multisex active; multispecies active -457,48413756,2723650,Active,100,,,multisite active; multisex active; multispecies active -458,48413757,8453,Inactive,0,,,multisex inactive -459,48413758,3032297,Inactive,0,,,multisex inactive -460,48413761,7641,Active,30,,,multisex active -461,48413762,8343,Active,80,,,multisex active; multispecies active -462,48413763,29061,Active,50,,,multisite active; multisex active -463,48413764,124535,Active,100,,,multisite active; multisex active; multispecies active -464,48413765,154041,Active,100,,,multisite active; multisex active; multispecies active -465,48413766,93203,Active,30,,,multisex active -466,48413769,9270,Inactive,0,,,multispecies inactive -467,48413770,3308,Inactive,0,,,multisex inactive; multispecies inactive -468,48413772,3314,Inactive,0,,,multisex inactive; multispecies inactive -469,48413773,59694,Inactive,0,,,multisex inactive -470,48413774,23668198,Inactive,0,,,multisex inactive; multispecies inactive -471,48413775,3346,Inactive,0,,,multisex inactive; multispecies inactive -472,48413776,3347,Inactive,0,,,multisex inactive; multispecies inactive -473,48413777,166033,Inactive,0,,,multisex inactive -474,48413778,5284396,Inactive,0,,,multisex inactive -475,48413779,26710,Inactive,0,,,multisex inactive -476,48413781,41022,Inactive,0,,,multisex inactive; multispecies inactive -477,48413783,16562,Inactive,0,,,multisex inactive; multispecies inactive -478,48413784,9690,Active,20,,,multisite active -479,48413785,5235,Inactive,0,,,multisex inactive; multispecies inactive -480,48413786,9462,Active,30,,,multisex active -481,48413789,3385,Active,50,,,multisite active; multisex active -482,48413790,62857,Inactive,0,,,multisex inactive; multispecies inactive -483,48413792,712,Active,100,,,multisite active; multisex active; multispecies active -484,48413795,3607071,Active,100,,,multisite active; multisex active; multispecies active -485,48413797,12229,Active,30,,,multisex active -486,48413799,62314,Active,100,,,multisite active; multisex active; multispecies active -487,48413801,8029,Active,100,,,multisite active; multisex active; multispecies active -488,48413802,7362,Active,80,,,multisex active; multispecies active -489,48413803,7361,Active,70,,,multisite active; multispecies active -490,48413807,37147,Inactive,0,,,multisex inactive -491,48413809,11057,Active,50,,,multisite active; multisex active -492,48413810,1549026,Inactive,0,,,multisex inactive; multispecies inactive -493,48413811,,Inactive,0,,,multispecies inactive -494,48413812,6466,Inactive,0,,,multisex inactive -495,48413813,49971,Active,100,,,multisite active; multisex active; multispecies active -496,48413814,49970,Active,100,,,multisite active; multisex active; multispecies active -497,48413817,439517,Inactive,0,,,multisex inactive -498,48413818,3485,Inactive,0,,,multisex inactive; multispecies inactive -499,48413821,7290,Inactive,0,,,multisex inactive -500,48413823,11164,Active,100,,,multisite active; multisex active; multispecies active -501,48413827,5284399,Inactive,0,,,multisex inactive -502,48413828,20803,Active,50,,,multisite active; multisex active -503,48413830,16887,Inactive,0,,,multisex inactive; multispecies inactive -504,48413831,441140,Active,50,,,multisite active; multisex active -505,48413832,,Inactive,0,,,multisex inactive; multispecies inactive -506,48413833,,Inactive,0,,,multisex inactive; multispecies inactive -507,48413834,29575,Active,80,,,multisex active; multispecies active -508,48413836,3589,Active,30,,,multisex active -509,48413837,14276,Inactive,0,,,multisex inactive -510,48413839,8370,Active,100,,,multisite active; multisex active; multispecies active -511,48413840,6901,Active,30,,,multisex active -512,48413841,727,Active,50,,,multispecies active -513,48413842,727,Active,30,,,multisex active -514,48413843,727,Active,50,,,multisite active; multisex active -515,48413844,727,Active,30,,,multisex active -516,48413845,6478,Inactive,0,,,multisex inactive; multispecies inactive -517,48413846,6214,Active,100,,,multisite active; multisex active; multispecies active -518,48413847,3598,Inactive,0,,,multisex inactive; multispecies inactive -519,48413848,637564,Active,80,,,multisex active; multispecies active -520,48413849,16556,Inactive,0,,,multisex inactive -521,48413850,4101,Inactive,0,,,multisex inactive; multispecies inactive -522,48413851,62361,Active,20,,,multisite active -523,48413853,9556443,Active,50,,,multisite active; multisex active -524,48413857,146461,Active,50,,,multisite active; multisex active -525,48413858,3610,Inactive,0,,,multisex inactive; multispecies inactive -526,48413859,66091,Inactive,0,,,multisex inactive -527,48413860,,Inactive,0,,,multisex inactive -528,48413861,9321,Active,100,,,multisite active; multisex active; multispecies active -529,48413862,24842,Active,100,,,multisite active; multisex active; multispecies active -530,48413863,93098,Active,70,,,multisite active; multispecies active -531,48413864,4021704,Active,70,,,multisite active; multispecies active -532,48413865,4373502,Active,70,,,multisite active; multispecies active -533,48413868,90547,Active,30,,,multisex active -534,48413869,31222,Active,100,,,multisite active; multisex active; multispecies active -535,48413871,9385,Active,50,,,multisite active; multisex active -536,48413872,3639,Inactive,0,,,multisex inactive; multispecies inactive -537,48413873,5754,Inactive,0,,,multisex inactive -538,48413875,785,Active,100,,,multisite active; multisex active; multispecies active -539,48413876,7638,Inactive,0,,,multisex inactive -540,48413878,5896,Active,100,,,multisite active; multisex active; multispecies active -541,48413881,8512,Active,20,,,multisite active -542,48413884,124536,Active,50,,,multisite active; multisex active -543,48413885,83695,Active,100,,,multisite active; multisex active; multispecies active -544,48413888,123019,Active,30,,,multisex active -545,48413889,1923,Inactive,0,,,multisex inactive; multispecies inactive -546,48413890,21268,Active,100,,,multisite active; multisex active; multispecies active -547,48413892,30623,Active,70,,,multisite active; multispecies active -548,48413893,134778,Active,80,,,multisex active; multispecies active -549,48413894,5284401,Inactive,0,,,multisex inactive; multispecies inactive -550,48413895,23681167,Inactive,0,,,multisex inactive -551,48413897,802,Inactive,0,,,multisex inactive -552,48413898,5284402,Active,30,,,multisex active -553,48413900,21852,Active,100,,,multisite active; multisex active; multispecies active -554,48413902,6374,Inactive,0,,,multisex inactive; multispecies inactive -555,48413903,5284403,Inactive,0,,,multisex inactive -556,48413904,53462,Active,100,,,multisite active; multisex active; multispecies active -557,48413905,5284404,Active,20,,,multisite active -558,48413907,5281734,Active,30,,,multisex active -559,48413909,20240,Inactive,0,,,multisex inactive -560,48413910,10958,Active,80,,,multisex active; multispecies active -561,48413912,6561,Inactive,0,,,multisex inactive; multispecies inactive -562,48413913,3763,Inactive,0,,,multisex inactive -563,48413914,88735,Inactive,0,,,multisex inactive -564,48413915,55690,Active,30,,,multisex active -565,48413916,3767,Active,100,,,multisite active; multisex active; multispecies active -566,48413917,15074,Inactive,0,,,multisex inactive -567,48413918,5922,Inactive,0,,,multisex inactive; multispecies inactive -568,48413919,5479610,Active,20,,,multisite active -569,48413920,6544,Active,20,,,multisite active -570,48413921,3690,Active,100,,,multisite active; multisex active; multispecies active -571,48413922,6557,Active,100,,,multisite active; multisex active; multispecies active -572,48413923,3776,Inactive,0,,,multisex inactive; multispecies inactive -573,48413924,7574,Inactive,0,,,multisex inactive -574,48413925,2728,Inactive,0,,,multisex inactive; multispecies inactive -575,48413926,8393,Inactive,0,,,multisex inactive -576,48413927,24685,Inactive,0,,,multisex inactive; multispecies inactive -577,48413928,637796,Inactive,0,,,multisex inactive -578,48413930,5284579,Inactive,0,,,multisex inactive -579,48413931,5280863,Inactive,0,,,multisex inactive -580,48413933,299,Active,80,,,multisex active; multispecies active -581,48413935,3840,Active,30,,,multisex active -582,48413936,6321388,Active,50,,,multisite active; multisex active -583,48413938,16717614,Active,80,,,multisex active; multispecies active -584,48413939,519623,Inactive,0,,,multisex inactive; multispecies inactive -585,48413941,5284409,Inactive,0,,,multisex inactive; multispecies inactive -586,48413943,9903,Inactive,0,,,multisex inactive; multispecies inactive -587,48413944,,Inactive,0,,,multisex inactive; multispecies inactive -588,48413945,30667,Inactive,0,,,multisex inactive -589,48413946,39562,Inactive,0,,,multisex inactive -590,48413947,54690031,Inactive,0,,,multisex inactive -591,48413948,53232,Active,50,,,multisite active; multisex active -592,48413949,55473,Active,30,,,multisex active -593,48413950,6321389,Active,30,,,multisex active -594,48413951,30840,Active,30,,,multisex active -595,48413953,643991,Inactive,0,,,multisex inactive -596,48413954,15415,Inactive,0,,,multisex inactive; multispecies inactive -597,48413955,4004,Inactive,0,,,multisex inactive; multispecies inactive -598,48413956,21954,Inactive,0,,,multisex inactive; multispecies inactive -599,48413957,23665729,Active,100,,,multisite active; multisex active; multispecies active -600,48413959,177577,Inactive,0,,,multisex inactive; multispecies inactive -601,48413960,150762,Inactive,0,,,multisex inactive; multispecies inactive -602,48413961,6251,Inactive,0,,,multisex inactive; multispecies inactive -603,48413963,5284415,Active,100,,,multisite active; multisex active; multispecies active -604,48413964,62274,Active,50,,,multisite active; multisex active -605,48413965,62275,Active,100,,,multisite active; multisex active; multispecies active -606,48413967,54677470,Inactive,0,,,multisex inactive -607,48413968,460612,Active,100,,,multisite active; multisex active; multispecies active -608,48413969,1254,Inactive,0,,,multisex inactive; multispecies inactive -609,48413971,697993,Active,50,,,multisite active; multisex active -610,48413972,9071,Inactive,0,,,multisex inactive -611,48413974,667490,Inactive,0,,,multisex inactive -612,48413978,6291,Inactive,0,,,multisex inactive -613,48413980,31368,Inactive,0,,,multisex inactive; multispecies inactive -614,48413981,21563,Inactive,0,,,multisex inactive -615,48413982,10306,Inactive,0,,,multisex inactive -616,48413983,8667,Active,30,,,multisex active -617,48413985,1349907,Active,30,,,multisex active -618,48413986,876,Inactive,0,,,multispecies inactive -619,48413987,126941,Inactive,0,,,multisex inactive; multispecies inactive -620,48413988,3036177,Inactive,0,,,multisex inactive -621,48413990,22086,Active,50,,,multisite active; multisex active -622,48413992,4115,Inactive,0,,,multisex inactive; multispecies inactive -623,48413993,9015,Active,30,,,multisex active -624,48413994,107202,Inactive,0,,,multisex inactive -625,48413995,4114,Active,20,,,multisite active -626,48413996,152014,Active,20,,,multisite active -627,48413997,6323,Inactive,0,,,multisex inactive; multispecies inactive -628,48413998,15413,Active,100,,,multisite active; multisex active; multispecies active -629,48413999,11722,Active,30,,,multisex active -630,48414000,80519,Inactive,0,,,multisex inactive -631,48414001,7204,Inactive,0,,,multisex inactive; multispecies inactive -632,48414002,30602,Active,100,,,multisite active; multisex active; multispecies active -633,48414003,5284417,Active,20,,,multisite active -634,48414006,12962,Active,100,,,multisite active; multisex active; multispecies active -635,48414007,5284419,Inactive,0,,,multisex inactive -636,48414010,6658,Inactive,0,,,multisex inactive; multispecies inactive -637,48414011,4156,Active,20,,,multisite active -638,48414012,9562060,Active,100,,,multisite active; multisex active; multispecies active -639,48414013,31426,Active,100,,,multisite active; multisex active; multispecies active -640,48414015,5284422,Active,30,,,multisex active -641,48414016,44486,Active,50,,,multisite active; multisex active -642,48414017,107919,Active,50,,,multisite active; multisex active -643,48414021,4130,Inactive,0,,,multisex inactive; multispecies inactive -644,48414022,13387,Active,30,,,multisex active -645,48414023,67955,Inactive,0,,,multisex inactive -646,48414024,102175,Inactive,0,,,multisex inactive -647,48414026,9556442,Active,50,,,multisite active; multisex active -648,48414027,9958,Active,30,,,multisex active -649,48414029,38852,Inactive,0,,,multisex inactive; multispecies inactive -650,48414030,156320,Inactive,0,,,multisex inactive -651,48414031,7543,Active,100,,,multisite active; multisex active; multispecies active -652,48414033,13283,Active,50,,,multisite active; multisex active -653,48414034,6344,Active,100,,,multisite active; multisex active; multispecies active -654,48414035,7567,Active,100,,,multisite active; multisex active; multispecies active -655,48414036,8398,Inactive,0,,,multisex inactive -656,48414037,26108,Active,100,,,multisite active; multisex active; multispecies active -657,48414038,5324275,Active,50,,,multispecies active -658,48414039,7127,Active,100,,,multisite active; multisex active; multispecies active -659,48414042,6061,Active,100,,,multisite active; multisex active; multispecies active -660,48414043,9323,Active,30,,,multisex active -661,48414045,12749,Active,100,,,multisite active; multisex active; multispecies active -662,48414046,7002,Inactive,0,,,multisex inactive -663,48414047,7055,Inactive,0,,,multisex inactive -664,48414048,421670,Active,30,,,multisex active -665,48414049,104856,Active,20,,,multisite active -666,48414050,47289,Active,20,,,multisite active -667,48414052,135121,Active,50,,,multisite active; multisex active -668,48414054,13543,Active,50,,,multisite active; multisex active -669,48414055,9280,Active,30,,,multisex active -670,48414056,7059,Inactive,0,,,multisex inactive -671,48414057,11910,Inactive,0,,,multisex inactive -672,48414058,12161,Inactive,0,,,multisex inactive -673,48414060,22047,Inactive,0,,,multisex inactive -674,48414061,5284484,Inactive,0,,,multisex inactive; multispecies inactive -675,48414062,4173,Active,100,,,multisite active; multisex active; multispecies active -676,48414063,9414,Inactive,0,,,multisex inactive; multispecies inactive -677,48414064,7031,Active,100,,,multisite active; multisex active; multispecies active -678,48414065,16945,Active,100,,,multisite active; multisex active; multispecies active -679,48414067,5282381,Inactive,0,,,multisex inactive; multispecies inactive -680,48414068,5746,Active,30,,,multisex active -681,48414069,14802,Active,30,,,multisex active -682,48414070,14039,Active,30,,,multisex active -683,48414071,300,Inactive,0,,,multisex inactive; multispecies inactive -684,48414073,8948,Inactive,0,,,multisex inactive; multispecies inactive -685,48414075,23672344,Inactive,0,,,multisex inactive -686,48414077,23672308,Inactive,0,,,multisex inactive; multispecies inactive -687,48414078,23690498,Inactive,0,,,multisex inactive -688,48414080,9595286,Active,20,,,multisite active -689,48414082,19592,Active,50,,,multisite active; multisex active -690,48414083,4421,Active,50,,,multisite active; multisex active -691,48414084,931,Active,100,,,multisite active; multisex active; multispecies active -692,48414085,6861,Inactive,0,,,multisex inactive -693,48414086,6862,Inactive,0,,,multisex inactive -694,48414087,16720,Active,100,,,multisite active; multisex active; multispecies active -695,48414088,15106,Inactive,0,,,multisex inactive; multispecies inactive -696,48414089,7142,Inactive,0,,,multisex inactive -697,48414090,736366,Inactive,0,,,multisex inactive -698,48414092,7057,Active,100,,,multisite active; multisex active; multispecies active -699,48414093,6670,Inactive,0,,,multisex inactive -700,48414094,71157,Inactive,0,,,multisex inactive; multispecies inactive -701,48414095,,Inactive,0,,,multisex inactive -702,48414096,935,Inactive,0,,,multisex inactive -703,48414097,9756,Inactive,0,,,multisex inactive -704,48414098,4523766,Inactive,0,,,multisex inactive -705,48414099,5284429,Inactive,0,,,multisex inactive; multispecies inactive -706,48414100,936,Inactive,0,,,multisex inactive -707,48414101,89594,Inactive,0,,,multisex inactive -708,48414102,5284430,Inactive,0,,,multisex inactive -709,48414103,938,Inactive,0,,,multisex inactive -710,48414104,11112,Active,30,,,multisex active -711,48414105,,Inactive,0,,,multisex inactive -712,48414107,8776,Active,100,,,multisite active; multisex active; multispecies active -713,48414108,24268,Inactive,0,,,multisex inactive -714,48414110,8758,Active,100,,,multisite active; multisex active; multispecies active -715,48414111,29194,Active,50,,,multisite active; multisex active -716,48414112,23668193,Active,50,,,multisite active; multisex active -717,48414114,7447,Active,100,,,multisite active; multisex active; multispecies active -718,48414115,5447130,Active,70,,,multisite active; multispecies active -719,48414118,156324,Active,100,,,multisite active; multisex active; multispecies active -720,48414120,118916,Active,20,,,multisite active -721,48414121,17405,Active,70,,,multisite active; multispecies active -722,48414122,107987,Active,20,,,multisite active -723,48414123,10753,Active,100,,,multisite active; multisex active; multispecies active -724,48414124,32486,Active,100,,,multisite active; multisex active; multispecies active -725,48414126,5284432,Active,50,,,multispecies active -726,48414127,5104,Inactive,0,,,multisex inactive; multispecies inactive -727,48414129,5111791,Inactive,0,,,multisex inactive; multispecies inactive -728,48414130,7444,Active,50,,,multisite active; multisex active -729,48414131,11769,Active,100,,,multisite active; multisex active; multispecies active -730,48414132,7475,Inactive,0,,,multisex inactive; multispecies inactive -731,48414133,7048,Active,100,,,multisite active; multisex active; multispecies active -732,48414134,12076,Inactive,0,,,multisex inactive; multispecies inactive -733,48414135,7416,Active,100,,,multisite active; multisex active; multispecies active -734,48414136,7195,Active,30,,,multisex active -735,48414140,6587,Inactive,0,,,multisex inactive -736,48414141,15787,Active,100,,,multisite active; multisex active; multispecies active -737,48414142,11831,Active,20,,,multisite active -738,48414143,6604200,Active,100,,,multisite active; multisex active; multispecies active -739,48414144,9568055,Active,20,,,multisite active -740,48414148,6375,Active,100,,,multisite active; multisex active; multispecies active -741,48414149,6849,Inactive,0,,,multisex inactive; multispecies inactive -742,48414151,7903,Inactive,0,,,multisex inactive -743,48414152,398,Inactive,0,,,multisex inactive -744,48414153,1678,Inactive,0,,,multisex inactive; multispecies inactive -745,48414154,21694,Active,20,,,multisite active -746,48414155,11945,Inactive,0,,,multisex inactive -747,48414156,11830,Active,30,,,multisex active -748,48414158,54990,Active,50,,,multisite active; multisex active -749,48414159,124937,Inactive,0,,,multisex inactive -750,48414160,85598,Active,30,,,multisex active -751,48414161,150285,Active,70,,,multisite active; multispecies active -752,48414162,3792964,Active,70,,,multisite active; multispecies active -753,48414165,124537,Active,50,,,multisite active; multisex active -754,48414167,124538,Active,30,,,multisex active -755,48414168,135654,Active,20,,,multisite active -756,48414171,41320,Active,50,,,multisite active; multisex active -757,48414174,83271,Active,20,,,multisite active -758,48414175,115083,Active,20,,,multisite active -759,48414176,53394,Active,20,,,multisite active -760,48414177,12699,Active,70,,,multisite active; multispecies active -761,48414178,148247,Active,20,,,multisite active -762,48414179,3794522,Active,70,,,multisite active; multispecies active -763,48414181,41470,Active,20,,,multisite active -764,48414182,54806,Active,20,,,multisite active -765,48414184,150692,Active,100,,,multisite active; multisex active; multispecies active -766,48414185,137413,Active,20,,,multisite active -767,48414186,124480,Active,20,,,multisite active -768,48414187,124481,Active,70,,,multisite active; multispecies active -769,48414188,124479,Active,20,,,multisite active -770,48414189,46335,Active,20,,,multisite active -771,48414190,14335,Active,30,,,multisex active -772,48414192,40828,Active,50,,,multisite active; multisex active -773,48414193,43371,Active,50,,,multisite active; multisex active -774,48414194,12267,Inactive,0,,,multisex inactive -775,48414195,40094,Inactive,0,,,multisex inactive -776,48414196,52445,Inactive,0,,,multisex inactive; multispecies inactive -777,48414197,13542,Active,70,,,multisite active; multispecies active -778,48414198,14223,Active,50,,,multisite active; multisex active -779,48414199,5921,Active,100,,,multisite active; multisex active; multispecies active -780,48414200,6124,Active,100,,,multisite active; multisex active; multispecies active -781,48414201,6838,Active,30,,,multisex active -782,48414202,9074,Active,50,,,multispecies active -783,48414203,12130,Active,70,,,multisite active; multispecies active -784,48414205,38523,Active,30,,,multisex active -785,48414206,28638,Active,20,,,multisite active -786,48414207,25418,Active,20,,,multisite active -787,48414208,11977,Active,20,,,multisite active -788,48414210,30360,Active,20,,,multisite active -789,48414211,13613,Active,50,,,multisite active; multisex active -790,48414212,93239,Active,50,,,multisite active; multisex active -791,48414213,61873,Inactive,0,,,multisex inactive -792,48414214,32784,Inactive,0,,,multisex inactive -793,48414216,128823,Active,70,,,multisite active; multispecies active -794,48414217,33646,Active,20,,,multisite active -795,48414218,125833,Active,50,,,multisite active; multisex active -796,48414219,107719,Active,50,,,multisite active; multisex active -797,48414220,104910,Active,50,,,multisite active; multisex active -798,48414221,47919,Active,50,,,multisite active; multisex active -799,48414225,11957,Active,30,,,multisex active -800,48414226,41474,Inactive,0,,,multisex inactive -801,48414227,129276,Active,20,,,multisite active -802,48414228,6046,Active,100,,,multisite active; multisex active; multispecies active -803,48414229,27919,Active,100,,,multisite active; multisex active; multispecies active -804,48414230,127579,Active,50,,,multisite active; multisex active -805,48414231,20614,Inactive,0,,,multisex inactive -806,48414232,21845,Active,50,,,multisite active; multisex active -807,48414233,7526,Active,100,,,multisite active; multisex active; multispecies active -808,48414234,10419304,Inactive,0,,,multisex inactive -809,48414235,13591,Active,100,,,multisite active; multisex active; multispecies active -810,48414236,54779,Active,20,,,multisite active -811,48414237,33535,Active,50,,,multisite active; multisex active -812,48414238,11909,Active,20,,,multisite active -813,48414239,6944,Active,100,,,multisite active; multisex active; multispecies active -814,48414241,948,Inactive,0,,,multisex inactive -815,48414243,34004,Active,30,,,multisex active -816,48414244,6231,Inactive,0,,,multisex inactive -817,48414246,5832,Active,70,,,multisite active; multispecies active -818,48414247,7187,Inactive,0,,,multispecies inactive -819,48414248,442530,Active,100,,,multisite active; multisex active; multispecies active -820,48414249,34466,Inactive,0,,,multisex inactive; multispecies inactive -821,48414252,23665730,Inactive,0,,,multisex inactive -822,48414253,,Inactive,0,,,multisex inactive; multispecies inactive -823,48414254,47318,Inactive,0,,,multisex inactive -824,48414255,4594,Active,30,,,multisex active -825,48414257,9566064,Inactive,0,,,multisex inactive; multispecies inactive -826,48414259,5282164,Inactive,0,,,multisex inactive; multispecies inactive -827,48414260,132303,Active,30,,,multisex active -828,48414262,9595287,Inactive,0,,,multisex inactive; multispecies inactive -829,48414263,4616,Active,50,,,multisite active; multisex active -830,48414264,18355,Active,20,,,multisite active -831,48414266,135720,Active,30,,,multisex active -832,48414267,119557,Active,30,,,multisex active -833,48414269,71172,Inactive,0,,,multisex inactive; multispecies inactive -834,48414270,7579,Active,100,,,multisite active; multisex active; multispecies active -835,48414271,83700,Active,50,,,multisite active; multisex active -836,48414272,7619,Inactive,0,,,multisex inactive -837,48414273,5281034,Active,20,,,multisite active -838,48414274,54680782,Inactive,0,,,multisex inactive; multispecies inactive -839,48414276,119153,Inactive,0,,,multisex inactive -840,48414277,991,Inactive,0,,,multisex inactive; multispecies inactive -841,48414279,23676814,Inactive,0,,,multisex inactive; multispecies inactive -842,48414280,15767,Active,70,,,multisite active; multispecies active -843,48414281,6419,Active,30,,,multisex active -844,48414283,992,Active,20,,,multisite active -845,48414284,992,Active,50,,,multisite active; multisex active -846,48414285,992,Active,100,,,multisite active; multisex active; multispecies active -847,48414286,6518,Inactive,0,,,multisex inactive; multispecies inactive -848,48414287,9570634,Active,50,,,multisite active; multisex active -849,48414289,5284438,Active,20,,,multisite active -850,48414291,5284439,Inactive,0,,,multisex inactive -851,48414292,5284440,Active,50,,,multisite active; multisex active -852,48414293,4754,Active,100,,,multisite active; multisex active; multispecies active -853,48414294,2206,Active,20,,,multisite active -854,48414295,8691,Active,100,,,multisite active; multisex active; multispecies active -855,48414296,266461,Active,100,,,multisite active; multisex active; multispecies active -856,48414298,13266,Inactive,0,,,multisex inactive; multispecies inactive -857,48414299,4763,Active,30,,,multisex active -858,48414300,23674889,Active,80,,,multisex active; multispecies active -859,48414301,996,Inactive,0,,,multisex inactive; multispecies inactive -860,48414302,4764,Active,100,,,multisite active; multisex active; multispecies active -861,48414303,7108,Inactive,0,,,multisex inactive -862,48414304,5284441,Active,80,,,multisex active; multispecies active -863,48414306,7673,Inactive,0,,,multisex inactive -864,48414307,4021,Inactive,0,,,multisex inactive; multispecies inactive -865,48414308,8679,Inactive,0,,,multisex inactive; multispecies inactive -866,48414309,75146,Inactive,0,,,multisex inactive; multispecies inactive -867,48414310,3331,Active,100,,,multisite active; multisex active; multispecies active -868,48414311,5284442,Inactive,0,,,multisex inactive; multispecies inactive -869,48414312,676454,Inactive,0,,,multisex inactive; multispecies inactive -870,48414313,5858445,Active,30,,,multisex active -871,48414314,4781,Active,100,,,multisite active; multisex active; multispecies active -872,48414315,7935,Inactive,0,,,multisex inactive -873,48414316,7814,Inactive,0,,,multisex inactive -874,48414317,10941,Inactive,0,,,multisex inactive; multispecies inactive -875,48414318,11990,Active,80,,,multisex active; multispecies active -876,48414319,12205,Inactive,0,,,multisex inactive; multispecies inactive -877,48414320,5284443,Inactive,0,,,multisex inactive; multispecies inactive -878,48414322,61100,Active,20,,,multisite active -879,48414323,31217,Active,30,,,multisex active -880,48414326,60962,Active,30,,,multisex active -881,48414327,5284445,Inactive,0,,,multisex inactive -882,48414328,16682730,Inactive,0,,,multisex inactive -883,48414330,7103,Inactive,0,,,multisex inactive -884,48414331,23675735,Active,50,,,multisite active; multisex active -885,48414333,5284446,Active,100,,,multisite active; multisex active; multispecies active -886,48414335,3032604,Inactive,0,,,multisex inactive -887,48414336,24404,Inactive,0,,,multisex inactive -888,48414337,6956,Inactive,0,,,multisex inactive; multispecies inactive -889,48414338,6811,Inactive,0,,,multisex inactive; multispecies inactive -890,48414339,15965,Inactive,0,,,multisex inactive; multispecies inactive -891,48414340,151324,Inactive,0,,,multisex inactive -892,48414341,5910,Inactive,0,,,multisex inactive -893,48414342,5284447,Inactive,0,,,multisex inactive -894,48414343,4837,Inactive,0,,,multisex inactive -895,48414344,8082,Inactive,0,,,multisex inactive -896,48414345,5794,Active,80,,,multisex active; multispecies active -897,48414346,5794,Inactive,0,,,multisex inactive -898,48414348,65501,Inactive,0,,,multisex inactive; multispecies inactive -899,48414350,16059,Active,30,,,multisex active -900,48414351,,Inactive,0,,,multisex inactive; multispecies inactive -901,48414352,42948,Active,80,,,multisex active; multispecies active -902,48414354,,Inactive,0,,,multisex inactive -903,48414355,24773,Inactive,0,,,multispecies inactive -904,48414356,5284448,Inactive,0,,,multisex inactive; multispecies inactive -905,48414357,24772,Inactive,0,,,multispecies inactive -906,48414358,516893,Active,30,,,multisex active -907,48414359,4873,Inactive,0,,,multisex inactive -908,48414360,4875,Active,30,,,multisex active -909,48414361,4883,Inactive,0,,,multisex inactive; multispecies inactive -910,48414362,11979774,Inactive,0,,,multisex inactive -911,48414363,4890,Inactive,0,,,multisex inactive; multispecies inactive -912,48414364,4891,Inactive,0,,,multisex inactive; multispecies inactive -913,48414367,5865,Inactive,0,,,multisex inactive -914,48414368,23676225,Inactive,0,,,multisex inactive -915,48414369,176173,Inactive,0,,,multisex inactive -916,48414370,4909,Active,50,,,multisite active; multisex active -917,48414373,9703,Active,100,,,multisite active; multisex active; multispecies active -918,48414375,6014,Inactive,0,,,multisex inactive; multispecies inactive -919,48414376,4930,Inactive,0,,,multisex inactive -920,48414377,60975,Inactive,0,,,multisex inactive -921,48414378,14264,Active,50,,,multisite active; multisex active -922,48414379,4937,Inactive,0,,,multisex inactive -923,48414380,2365,Active,80,,,multisex active; multispecies active -924,48414381,62882,Inactive,0,,,multisex inactive; multispecies inactive -925,48414382,14215,Inactive,0,,,multisex inactive -926,48414383,53657,Active,50,,,multisite active; multisex active -927,48414384,4947,Inactive,0,,,multisex inactive; multispecies inactive -928,48414385,6750,Inactive,0,,,multisex inactive -929,48414387,13157,Active,30,,,multisex active -930,48414388,8252,Inactive,0,,,multisex inactive; multispecies inactive -931,48414389,1030,Inactive,0,,,multisex inactive -932,48414390,92629,Active,30,,,multisex active -933,48414391,6378,Active,100,,,multisite active; multisex active; multispecies active -934,48414392,5284450,Active,30,,,multisex active -935,48414393,657298,Active,100,,,multisite active; multisex active; multispecies active -936,48414394,31508,Inactive,0,,,multisex inactive -937,48414399,1046,Inactive,0,,,multisex inactive; multispecies inactive -938,48414400,1049,Active,100,,,multisite active; multisex active; multispecies active -939,48414401,5284451,Active,30,,,multisex active -940,48414402,4993,Inactive,0,,,multisex inactive; multispecies inactive -941,48414403,5280343,Active,50,,,multisite active; multisex active -942,48414404,5284452,Inactive,0,,,multisex inactive; multispecies inactive -943,48414405,,Inactive,0,,,multisex inactive; multispecies inactive -944,48414406,54891,Inactive,0,,,multisex inactive; multispecies inactive -945,48414408,107999,Inactive,0,,,multisex inactive; multispecies inactive -946,48414409,5360191,Active,50,,,multisite active; multisex active -947,48414410,5359894,Inactive,0,,,multisex inactive; multispecies inactive -948,48414411,5798639,Active,100,,,multisite active; multisex active; multispecies active -949,48414412,6508074,Inactive,0,,,multisex inactive; multispecies inactive -950,48414413,5359941,Active,80,,,multisex active; multispecies active -951,48414414,9570201,Active,20,,,multisite active -952,48414415,23690499,Inactive,0,,,multisex inactive -953,48414416,5359885,Active,30,,,multisex active -954,48414418,27872,Inactive,0,,,multisex inactive; multispecies inactive -955,48414420,62500,Inactive,0,,,multisex inactive -956,48414421,3465817,Inactive,0,,,multisex inactive; multispecies inactive -957,48414422,5770,Active,100,,,multisite active; multisex active; multispecies active -958,48414423,5054,Inactive,0,,,multisex inactive; multispecies inactive -959,48414424,444795,Inactive,0,,,multisex inactive; multispecies inactive -960,48414425,638034,Active,30,,,multisex active -961,48414426,5280531,Inactive,0,,,multispecies inactive -962,48414428,235227,Inactive,0,,,multisex inactive; multispecies inactive -963,48414429,5281744,Active,100,,,multisite active; multisex active; multispecies active -964,48414431,33474,Active,30,,,multisex active -965,48414432,12447,Inactive,0,,,multisex inactive; multispecies inactive -966,48414433,11292,Active,100,,,multisite active; multisex active; multispecies active -967,48414434,6758,Inactive,0,,,multisex inactive; multispecies inactive -968,48414435,5284453,Inactive,0,,,multisex inactive -969,48414436,5280805,Inactive,0,,,multisex inactive; multispecies inactive -970,48414437,5143,Inactive,0,,,multisex inactive; multispecies inactive -971,48414440,5144,Active,80,,,multisex active; multispecies active -972,48414442,5359476,Active,100,,,multisite active; multisex active; multispecies active -973,48414444,24860541,Inactive,0,,,multisex inactive; multispecies inactive -974,48414448,8951,Inactive,0,,,multisex inactive -975,48414450,24011,Active,100,,,multisite active; multisex active; multispecies active -976,48414452,63009,Inactive,0,,,multisex inactive; multispecies inactive -977,48414453,68289,Active,80,,,multisex active; multispecies active -978,48414454,5216,Inactive,0,,,multisex inactive -979,48414455,516892,Inactive,0,,,multispecies inactive -980,48414456,22882,Inactive,0,,,multisex inactive -981,48414457,5234,Inactive,0,,,multisex inactive; multispecies inactive -982,48414458,23668197,Inactive,0,,,multisex inactive; multispecies inactive -983,48414459,9875143,Inactive,0,,,multisex inactive -984,48414460,517546,Inactive,0,,,multisex inactive; multispecies inactive -985,48414461,23665760,Inactive,0,,,multisex inactive; multispecies inactive -986,48414462,16133893,Inactive,0,,,multisex inactive -987,48414463,643460,Inactive,0,,,multisex inactive; multispecies inactive -988,48414464,66245,Inactive,0,,,multisex inactive; multispecies inactive -989,48414465,,Inactive,0,,,multisex inactive -990,48414466,5284457,Active,100,,,multisite active; multisex active; multispecies active -991,48414467,442089,Inactive,0,,,multisex inactive -992,48414468,,Inactive,0,,,multisex inactive; multispecies inactive -993,48414469,29327,Active,100,,,multisite active; multisex active; multispecies active -994,48414470,22833294,Active,20,,,multisite active -995,48414471,7501,Active,100,,,multisite active; multisex active; multispecies active -996,48414472,5284459,Inactive,0,,,multisex inactive; multispecies inactive -997,48414473,7276,Active,80,,,multisex active; multispecies active -998,48414474,7922,Inactive,0,,,multisex inactive; multispecies inactive -999,48414475,71485,Inactive,0,,,multisex inactive -1000,48414476,5988,Inactive,0,,,multisex inactive -1001,48414477,31339,Inactive,0,,,multisex inactive; multispecies inactive -1002,48414478,7216,Active,100,,,multisite active; multisex active; multispecies active -1003,48414479,5327,Active,30,,,multisex active -1004,48414481,5344,Inactive,0,,,multisex inactive; multispecies inactive -1005,48414482,28019,Inactive,0,,,multisex inactive -1006,48414483,6498,Inactive,0,,,multisex inactive; multispecies inactive -1007,48414486,5362,Inactive,0,,,multisex inactive -1008,48414487,5284460,Active,20,,,multisite active -1009,48414488,6321400,Active,20,,,multisite active -1010,48414489,11289,Inactive,0,,,multisex inactive -1011,48414490,656609,Inactive,0,,,multisex inactive; multispecies inactive -1012,48414491,2733525,Active,100,,,multisite active; multisex active; multispecies active -1013,48414492,,Inactive,0,,,multisex inactive -1014,48414493,,Inactive,0,,,multisex inactive; multispecies inactive -1015,48414494,1123,Inactive,0,,,multisex inactive -1016,48414495,5386,Inactive,0,,,multisex inactive; multispecies inactive -1017,48414496,9271,Inactive,0,,,multisex inactive -1018,48414497,24726,Active,100,,,multisite active; multisex active; multispecies active -1019,48414498,24726,Active,70,,,multisite active; multispecies active -1020,48414499,5391,Inactive,0,,,multisex inactive -1021,48414501,23892,Active,70,,,multisite active; multispecies active -1022,48414502,17107,Inactive,0,,,multisex inactive; multispecies inactive -1023,48414503,27465,Inactive,0,,,multisex inactive; multispecies inactive -1024,48414504,15625,Active,100,,,multisite active; multisex active; multispecies active -1025,48414505,8305,Inactive,0,,,multisex inactive -1026,48414506,12418,Active,30,,,multisex active -1027,48414507,6591,Active,30,,,multisex active -1028,48414508,31373,Active,100,,,multisite active; multisex active; multispecies active -1029,48414510,54704426,Inactive,0,,,multisex inactive; multispecies inactive -1030,48414511,3117,Inactive,0,,,multisex inactive; multispecies inactive -1031,48414514,8301,Active,100,,,multisite active; multisex active; multispecies active -1032,48414516,16078,Inactive,0,,,multisex inactive; multispecies inactive -1033,48414517,8028,Active,100,,,multisite active; multisex active; multispecies active -1034,48414519,31298,Inactive,0,,,multisex inactive; multispecies inactive -1035,48414520,41478,Inactive,0,,,multisex inactive; multispecies inactive -1036,48414521,5455,Inactive,0,,,multisex inactive; multispecies inactive -1037,48414522,7347,Inactive,0,,,multisex inactive -1038,48414523,10509,Active,80,,,multisex active; multispecies active -1039,48414524,7066,Inactive,0,,,multisex inactive -1040,48414525,2153,Inactive,0,,,multisex inactive; multispecies inactive -1041,48414526,5430,Inactive,0,,,multisex inactive; multispecies inactive -1042,48414527,27200,Inactive,0,,,multisex inactive -1043,48414528,5453,Active,100,,,multisite active; multisex active; multispecies active -1044,48414529,2723949,Active,80,,,multisex active; multispecies active -1045,48414530,7308,Inactive,0,,,multisex inactive; multispecies inactive -1046,48414531,2406,Inactive,0,,,multisex inactive -1047,48414532,516871,Inactive,0,,,multisex inactive -1048,48414533,8765,Active,100,,,multisite active; multisex active; multispecies active -1049,48414535,2723789,Inactive,0,,,multisex inactive; multispecies inactive -1050,48414536,1269845,Active,100,,,multisite active; multisex active; multispecies active -1051,48414538,5284464,Inactive,0,,,multisex inactive; multispecies inactive -1052,48414539,5284465,Inactive,0,,,multisex inactive; multispecies inactive -1053,48414540,5284466,Inactive,0,,,multisex inactive; multispecies inactive -1054,48414541,26042,Inactive,0,,,multisex inactive; multispecies inactive -1055,48414542,5284467,Inactive,0,,,multisex inactive -1056,48414543,5284468,Inactive,0,,,multisex inactive -1057,48414545,2117,Inactive,0,,,multisex inactive -1058,48414547,5503,Inactive,0,,,multisex inactive; multispecies inactive -1059,48414548,5505,Inactive,0,,,multisex inactive; multispecies inactive -1060,48414549,1140,Active,50,,,multisite active; multisex active -1061,48414550,11443,Active,100,,,multisite active; multisex active; multispecies active -1062,48414553,12484,Active,100,,,multisite active; multisex active; multispecies active -1063,48414554,10891,Active,30,,,multisex active -1064,48414556,3005572,Inactive,0,,,multisex inactive -1065,48414557,5284469,Active,30,,,multisex active -1066,48414558,,Inactive,0,,,multisex inactive -1067,48414562,5546,Active,30,,,multisex active -1068,48414563,5558,Active,30,,,multisex active -1069,48414564,31357,Active,100,,,multisite active; multisex active; multispecies active -1070,48414566,22875,Inactive,0,,,multisex inactive -1071,48414567,6428,Inactive,0,,,multisex inactive -1072,48414568,6421,Active,30,,,multisex active -1073,48414569,12471,Active,20,,,multisite active -1074,48414570,6574,Active,50,,,multisite active; multisex active -1075,48414571,6278,Inactive,0,,,multisex inactive; multispecies inactive -1076,48414572,6575,Active,100,,,multisite active; multisex active; multispecies active -1077,48414573,6575,Active,30,,,multisex active -1078,48414574,6389,Inactive,0,,,multisex inactive; multispecies inactive -1079,48414575,8607,Active,50,,,multisite active; multisex active -1080,48414576,6914,Active,100,,,multisite active; multisex active; multispecies active -1081,48414577,7158,Inactive,0,,,multisex inactive -1082,48414578,1480,Inactive,0,,,multisex inactive; multispecies inactive -1083,48414580,7285,Active,100,,,multisite active; multisex active; multispecies active -1084,48414581,6529,Inactive,0,,,multisex inactive; multispecies inactive -1085,48414582,7618,Active,30,,,multisex active -1086,48414584,39078,Active,70,,,multisite active; multispecies active -1087,48414585,5569,Active,20,,,multisite active -1088,48414587,2449,Inactive,0,,,multisex inactive -1089,48414588,8717,Active,100,,,multisite active; multisex active; multispecies active -1090,48414589,5284470,Active,100,,,multisite active; multisex active; multispecies active -1091,48414590,5284471,Active,100,,,multisite active; multisex active; multispecies active -1092,48414595,62329,Active,50,,,multisite active; multisex active -1093,48414596,7434,Inactive,0,,,multisex inactive -1094,48414597,4510,Active,50,,,multisite active; multisex active -1095,48414598,16682804,Inactive,0,,,multisex inactive -1096,48414599,6327657,Inactive,0,,,multisex inactive; multispecies inactive -1097,48414600,5284472,Inactive,0,,,multisex inactive; multispecies inactive -1098,48414601,8295,Active,100,,,multisite active; multisex active; multispecies active -1099,48414603,31356,Active,100,,,multisite active; multisex active; multispecies active -1100,48414604,26177,Active,50,,,multisite active; multisex active -1101,48414608,5284473,Active,80,,,multisex active; multispecies active -1102,48414609,5284475,Active,100,,,multisite active; multisex active; multispecies active -1103,48414611,6305,Inactive,0,,,multisex inactive; multispecies inactive -1104,48414612,26052,Inactive,0,,,multisex inactive -1105,48414614,969516,Inactive,0,,,multisex inactive; multispecies inactive -1106,48414615,5284477,Inactive,0,,,multisex inactive -1107,48414616,1174,Active,80,,,multisex active; multispecies active -1108,48414617,5639,Inactive,0,,,multisex inactive -1109,48414618,1176,Inactive,0,,,multisex inactive; multispecies inactive -1110,48414619,5641,Active,100,,,multisite active; multisex active; multispecies active -1111,48414620,34007,Inactive,0,,,multisex inactive; multispecies inactive -1112,48414621,5455,Inactive,0,,,multisex inactive -1113,48414623,7904,Active,100,,,multisite active; multisex active; multispecies active -1114,48414624,11641,Active,50,,,multisite active; multisex active -1115,48414625,27492,Active,50,,,multisite active; multisex active -1116,48414626,6338,Active,100,,,multisite active; multisex active; multispecies active -1117,48414627,6339,Active,100,,,multisite active; multisex active; multispecies active -1118,48414628,7529,Inactive,0,,,multisex inactive; multispecies inactive -1119,48414630,6366,Active,50,,,multisite active; multisex active -1120,48414631,6369,Inactive,0,,,multisex inactive -1121,48414632,6917,Active,50,,,multisite active; multisex active -1122,48414633,5284479,Active,20,,,multisite active -1123,48414634,444020,Inactive,0,,,multisex inactive; multispecies inactive -1124,48414635,154437,Inactive,0,,,multisex inactive; multispecies inactive -1125,48414636,,Inactive,0,,,multisex inactive -1126,48414637,146255,Inactive,0,,,multisex inactive -1127,48414639,7929,Active,50,,,multisite active; multisex active -1128,48414640,7929,Inactive,0,,,multisex inactive; multispecies inactive -1129,48414642,94546,Active,100,,,multisite active; multisex active; multispecies active -1130,48414643,5359815,Active,80,,,multisex active; multispecies active -1131,48414644,186342,Inactive,0,,,multisex inactive; multispecies inactive -1132,48414645,22288,Inactive,0,,,multispecies inactive -1133,48414646,21733,Inactive,0,,,multispecies inactive -1134,48414648,5359657,Inactive,0,,,multisex inactive; multispecies inactive -1135,48414649,5359810,Inactive,0,,,multisex inactive; multispecies inactive -1136,48414650,5281233,Inactive,0,,,multisex inactive -1137,48414651,62158,Inactive,0,,,multisex inactive; multispecies inactive -1138,48414652,24860542,Inactive,0,,,multisex inactive -1139,48414653,5281576,Active,50,,,multisite active; multisex active -1140,48414655,5284483,Inactive,0,,,multisex inactive -1141,48414656,26633,Inactive,0,,,multisex inactive -1142,48414657,8722,Active,20,,,multisite active -1143,48414660,5284485,Inactive,0,,,multisex inactive -1144,48414662,146842,Active,50,,,multisite active; multisex active -1145,48414663,15081,Active,50,,,multisite active; multisex active -1146,48414665,12001,Active,20,,,multisite active -1147,48414666,114957,Active,50,,,multisite active; multisex active -1148,48414667,96395,Active,50,,,multisite active; multisex active -1149,48414669,4343483,Inactive,0,,,multisex inactive -1150,48414670,9352,Inactive,0,,,multispecies inactive -1151,48414671,31703,Inactive,0,,,multispecies inactive -1152,48414672,5459896,Active,70,,,multisite active; multispecies active diff --git a/data/carcinogenicity.csv b/data/carcinogenicity.csv deleted file mode 100644 index 10199d5..0000000 --- a/data/carcinogenicity.csv +++ /dev/null @@ -1,1153 +0,0 @@ -SMILES,Activity -CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OC,Active -CC1=C(C=C(C=C1)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C)[N+](=O)[O-],Inactive -CC1=C(C(=NN1C)C)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Active -CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC,Active -CC1=CC=C(S1)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Active -CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CN(C(=O)N(C3=O)C)C,Active -CCN(CC)S(=O)(=O)NC(C1=NC(=NO1)C2=CC=CC=C2)C(C)C,Inactive -CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3,Inactive -CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)N3CCOCC3,Active -CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)CC3=CC=C(C=C3)F,Active 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-CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C,Active -C#CCCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)N3CCCC3=O,Inactive -CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)CCC#C,Inactive -C#CCCN1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3,Active -COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CCC#C)[N+](=O)[O-])OC)OC,Inactive -C#CCCN1CCN(CC1)C(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O,Active -C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl,Active -C#CCCN1CCN(CC1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3,Active -CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)CCC#C,Active -C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)CCC3=O,Active -COC1=CN(N=C1C(=O)N2CCN(CC2)CCC#C)C3=CC=CC=C3,Inactive -C#CCCN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3S2,Inactive -COCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCC#C,Inactive -C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=C3,Active diff --git a/data/efsa.csv b/data/efsa.csv index eda38a7..c9e9093 100644 --- a/data/efsa.csv +++ b/data/efsa.csv @@ -1,695 +1,695 @@ ID,SMILES,Mutagenicity -efsa_1214-39-7,c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0 -efsa_148-24-3,OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,1 -efsa_148-24-3,Oc1cccc2c1nccc2,1 -efsa_71751-41-2,CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0 -efsa_101007-06-1,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0 -efsa_150114-71-9,Clc1cc(N)c(c(n1)C(=O)O)Cl,0 -efsa_120162-55-2,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0 -efsa_120162-55-2,COc1cc(OC)nc(n1)N,0 -efsa_120162-55-2,Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0 -efsa_94-75-7,Clc1ccc(c(c1)Cl)O,0 -efsa_94-82-6,OC(=O)CCCOc1ccc(cc1Cl)Cl,0 -efsa_83055-99-6,O=C1NS(=O)(=O)Cc2c1cccc2,0 -efsa_83055-99-6,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0 -efsa_83055-99-6,COC(=O)c1ccccc1CS(=O)(=O)N,0 -efsa_25057-89-0,CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0 -efsa_177406-68-7,CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,1 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9b5f185..7d77fed 100644 --- a/data/kazius.id +++ b/data/kazius.id @@ -1 +1 @@ -5bba446bca62690a261f82b3 +5be05cc6ca62690ccff8a630 diff --git a/data/mutagenicity-merged.csv b/data/mutagenicity-merged.csv deleted file mode 100644 index 20ce08c..0000000 --- a/data/mutagenicity-merged.csv +++ /dev/null @@ -1,8306 +0,0 @@ -SMILES,Mutagenicity -COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1 -O=C=Nc1cccc(c1C)N=C=O,1 -OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0 -C=CC(=O)OCCN(C)C,0 -Clc1cc(Cl)c(cc1Cl)Cl,0 -OCCc1cn(c2c1cccc2)N=O,1 -Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1 -CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0 -O=NN(c1ccccc1)C,1 -Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,1 -CCCCCCCCCCCCc1ccccc1,0 -CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1 -Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],1 -[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],1 -CCOC(=O)CC(C)C,0 -Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,1 -CSc1cc(SC)c(c(c1N)C)N,1 -Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,1 -BrC(=C)C(=O)C,1 -NCCNCCNCCN,1 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-C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0 -NCCCN1CCN(CC1)CCCN,0 -Cl[Si](Cl)(Cl)Cl,0 -CC=C,1 -CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,1 -COc1cc(CNC(=O)C(Br)C)ccc1OC,1 -CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,1 -CC(=O)NC(C(=O)O)CSCCCl,1 -[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],1 -Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,1 -OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0 -N#CC(=Cc1ccccc1Cl)C#N,1 -Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0 -ClCCN(P1(=O)OCCC(=O)N1)CCCl,1 -BrCC(c1ccccc1)Br,1 -O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0 -Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0 -O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,1 -CC(=O)Nc1cccc2c1ncc(c2)F,1 -Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,1 -[O-][N+](=O)c1cc(ccc1C)C(=O)O,1 -On1nnc2c1cccc2,0 -O=C1C=CC(=O)C=C1,0 -ClCl,0 -OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0 -CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0 -CC(NCC(c1ccc2c(c1)cccc2)O)C,0 -ONc1nc(N)nc2c1[nH]cn2,1 -Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0 -NC(C(=O)NCC(=O)O)CS,1 -Cc1ccc(c(c1)N)[N+](=O)[O-],0 -Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,1 -Cc1cccc(c1O)C,0 -COCOC,0 -NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,1 -CCOC(=O)CNC(=O)C(Br)(C)C,0 -Oc1ccc(nn1)O,0 -COc1ccc(cc1)CC=C,0 -CCOC(=O)NNc1nncc2c1cccc2,1 -CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0 -O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0 -O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0 -CN(N=Nc1ccc(cc1)Cl)C,1 -NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0 -CCCC/C=C/C=C/C=C/C=C/C=C/OC,1 -CCCCOS(=O)(=O)C,1 -Nc1ccccc1,0 -Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,1 -c1ccc(cc1)CN1CCN=N1,1 -O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0 -BrC(C#N)Br,1 -CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0 -COCN(c1c(CC)cccc1CC)C(=O)CO,0 -CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0 -Oc1ccc(cc1)Cl,0 -O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0 -Clc1cccc2c1oc1c2cccc1,0 -[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,1 -CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,1 -COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0 -O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,1 diff --git a/data/mutagenicity-merged.id b/data/mutagenicity-merged.id index abe9002..91c4f9b 100644 --- a/data/mutagenicity-merged.id +++ b/data/mutagenicity-merged.id @@ -1 +1 @@ -5bba44beca62690a261f82b5 +5be05e62ca62690edac97be6 diff --git a/experiments/pa_carcinogenicity_prediction.json b/experiments/pa_carcinogenicity_prediction.json deleted file mode 100644 index 5d8d36e..0000000 --- a/experiments/pa_carcinogenicity_prediction.json +++ /dev/null @@ -1 +0,0 @@ -{"1":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"2":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar 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prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"14":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"15":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"16":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training 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0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"67":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"68":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"69":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"70":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"71":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"72":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"73":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"74":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"75":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"76":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"77":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"79":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"80":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"81":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"82":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"83":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"84":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"85":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Cannot create prediction: Only one similar compound in the training set."],"measurements":[],"value":null,"neighbors":[{"id":"5b7ecbcaca626917a0cc82f3","similarity":0.2222222222222222}],"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"87":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"88":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"89":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"90":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"91":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"93":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"94":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"95":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"96":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"97":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"98":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"99":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"100":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"101":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"102":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"103":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"104":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"106":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"107":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"108":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"109":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"110":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"111":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"112":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"114":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"115":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"116":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"117":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"118":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"119":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"120":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"121":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"122":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"123":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"125":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"126":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"127":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"128":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"129":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"131":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"132":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"133":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"134":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"135":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"136":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"137":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"138":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"139":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"140":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"141":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"142":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"143":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"144":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"145":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"146":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"147":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"148":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"149":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"150":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"151":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"152":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"153":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"154":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"155":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"157":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"158":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"159":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"160":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"161":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"162":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"163":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"164":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"165":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"166":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"167":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"168":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"169":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"170":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"171":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"172":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"173":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"174":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"175":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"176":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"177":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"178":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"179":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"180":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"181":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"182":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"183":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"184":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"185":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"186":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"187":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"188":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"189":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"190":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"191":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"192":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"193":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"194":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"195":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"196":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"197":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"198":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"199":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"200":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"201":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"202":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"203":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"204":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"205":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"206":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"207":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"208":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"209":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"210":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"211":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"212":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"213":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"214":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"215":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"216":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"217":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"218":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"219":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"220":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"222":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"225":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"226":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"227":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"228":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"229":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"230":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"231":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"232":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"233":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"234":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"235":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"236":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"237":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"238":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"239":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"240":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"241":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"242":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"243":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"244":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"245":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"246":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"247":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"248":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"249":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"250":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"251":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"252":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"253":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"254":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"255":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"256":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"257":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"258":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"259":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"260":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"261":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"262":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"263":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"264":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"265":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"266":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"267":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"268":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"269":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"270":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"271":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"272":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"273":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"274":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"275":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"276":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"277":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"278":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"279":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training 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0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"284":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"285":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"286":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"287":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"288":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"289":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"290":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"291":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"292":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"293":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"294":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"295":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"296":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"297":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"298":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"299":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"300":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"301":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"302":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"303":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"304":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"305":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"306":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"307":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"308":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"309":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"311":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"312":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"313":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"314":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"315":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"316":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"317":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"318":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"319":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"320":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"321":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"322":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"323":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"324":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"325":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"326":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"327":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"328":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"329":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"330":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"331":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"332":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"333":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"334":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"335":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"336":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"337":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"338":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"339":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"340":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"342":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"343":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"344":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"345":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"346":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"347":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"348":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"349":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"350":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"351":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"352":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"353":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"354":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"355":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"356":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"357":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"358":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"359":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"360":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"361":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"362":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"363":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"365":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"366":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"367":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"368":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"369":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"370":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"371":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"372":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"373":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"374":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"375":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"376":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"377":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"378":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"379":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"380":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"382":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"383":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"384":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"385":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"386":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"387":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"388":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"389":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"390":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"392":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"395":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"396":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"397":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"398":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"399":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"400":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"401":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"402":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"403":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"404":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"405":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"406":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"407":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"408":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"409":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"411":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"412":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"413":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"414":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"416":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"417":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"418":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"419":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"420":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"421":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"422":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"426":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"427":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"428":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"429":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"430":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"431":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"432":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"433":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"434":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"435":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"436":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"437":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"438":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"439":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"440":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"441":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"442":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"443":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"444":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"445":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"446":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"447":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"448":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"449":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"450":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"451":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"452":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"454":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"455":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Cannot create prediction: Only one similar compound in the training set."],"measurements":[],"value":null,"neighbors":[{"id":"5b7ecbcaca626917a0cc82f3","similarity":0.2647058823529412}],"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"456":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"457":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"458":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"459":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"460":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"461":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"463":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"464":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"465":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"466":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"467":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"468":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"469":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"470":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"472":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"473":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"475":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"476":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"477":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"478":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"479":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"480":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"481":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"482":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"483":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"484":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"485":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"486":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"487":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"489":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"490":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"492":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"493":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"494":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"495":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"496":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"497":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"498":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"499":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"500":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"501":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"502":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"503":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"504":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"505":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"506":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"507":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"508":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"509":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"510":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"511":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"512":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"513":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"514":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"515":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"517":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"518":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"519":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"520":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"521":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"522":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"523":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"524":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"525":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"526":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"527":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"528":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"529":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"530":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"531":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"532":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"533":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"534":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"535":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"536":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"537":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"538":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"539":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"540":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"541":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"542":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"543":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"544":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"545":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"546":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"547":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"548":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"549":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"550":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"551":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"552":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"553":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"554":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"555":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"556":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"557":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"558":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"559":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"560":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training 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b/experiments/weighted_majority_kazius_sim0.5.id deleted file mode 100644 index dd23289..0000000 --- a/experiments/weighted_majority_kazius_sim0.5.id +++ /dev/null @@ -1 +0,0 @@ -5b7302c4ca6269031da8f9f7 diff --git a/experiments/weighted_majority_merged_sim0.1.id b/experiments/weighted_majority_merged_sim0.1.id deleted file mode 100644 index 6e09c92..0000000 --- a/experiments/weighted_majority_merged_sim0.1.id +++ /dev/null @@ -1 +0,0 @@ -5b6c55beca626902ea7561ee diff --git a/experiments/weighted_majority_merged_sim0.5.id b/experiments/weighted_majority_merged_sim0.5.id deleted file mode 100644 index ca5620c..0000000 --- a/experiments/weighted_majority_merged_sim0.5.id +++ /dev/null @@ -1 +0,0 @@ -5b72eee2ca626901d3189be7 diff --git a/models/mutagenicity-merged.id b/models/mutagenicity-merged.id index 376b734..e69de29 100644 --- a/models/mutagenicity-merged.id +++ b/models/mutagenicity-merged.id @@ -1 +0,0 @@ -5bba45aaca62690b2d245679 diff --git a/predictions/PA_mutagenicity.id b/predictions/PA_mutagenicity.id deleted file mode 100644 index e69de29..0000000 diff --git a/scripts/crossvalidation-summary.rb b/scripts/crossvalidation-summary.rb new file mode 100755 index 0000000..13b0dfa --- /dev/null +++ b/scripts/crossvalidation-summary.rb @@ -0,0 +1,9 @@ +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +include OpenTox + +summary = [] +model = Model::Validation.find(File.read(ARGV[0]).chomp).crossvalidations.each do |cv| + summary << cv.statistics +end +puts JSON.pretty_generate(summary) diff --git a/scripts/drop-database.rb b/scripts/drop-database.rb new file mode 100755 index 0000000..e263312 --- /dev/null +++ b/scripts/drop-database.rb @@ -0,0 +1,5 @@ +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +$mongo.database.drop +$gridfs = $mongo.database.fs # recreate GridFS indexes + diff --git a/scripts/efsa2csv.rb b/scripts/efsa2csv.rb new file mode 100755 index 0000000..5251cae --- /dev/null +++ b/scripts/efsa2csv.rb @@ -0,0 +1,29 @@ +#!/usr/bin/env ruby +require 'csv' +require_relative '../../lazar/lib/lazar.rb' + +i = 0 +db = {} +CSV.foreach(ARGV[0], :encoding => "UTF-8", :col_sep => "\t", :liberal_parsing => true) do |row| + #STDERR.puts i if i%100 == 0 + if i > 0 and row[11] and !row[11].empty? and row[24].match(/Salmonella/i) and ( row[25].match("TA 98") or row[25].match("TA 100") ) and row[33] + begin + c = OpenTox::Compound.from_smiles(row[11].gsub('"','')).smiles + rescue + c = OpenTox::Compound.from_inchi(row[12]).smiles # some smiles (row[11]) contain non-parseable characters + end + db[c] ||= {} + db[c][:id] ||= row[2] + if row[33].match(/Positiv/i) + db[c][:value] = 1 # at least one positive result in TA 98 or TA 100 + elsif row[33].match(/Negativ/i) + db[c][:value] ||= 0 + end + end + i += 1 +end + +puts "ID,SMILES,Mutagenicity" +db.each do |s,v| + puts [v[:id],s,v[:value]].join "," +end diff --git a/scripts/export.rb b/scripts/export.rb new file mode 100755 index 0000000..afcb51d --- /dev/null +++ b/scripts/export.rb @@ -0,0 +1,7 @@ +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +include OpenTox + +ext = File.extname(ARGV[0]).sub('.','') +dataset = Dataset.find File.read(ARGV[0]).chomp +dataset.send("to_#{ext}") diff --git a/scripts/hansen2csv.rb b/scripts/hansen2csv.rb new file mode 100755 index 0000000..3ae22ee --- /dev/null +++ b/scripts/hansen2csv.rb @@ -0,0 +1,10 @@ +#!/usr/bin/env ruby +require 'csv' +require_relative '../../lazar/lib/lazar.rb' + +puts "ID,SMILES,Mutagenicity" +i = 0 +CSV.foreach(ARGV[0]) do |row| + puts [row[0],row[5],row[2]].join "," if i > 0 + i += 1 +end diff --git a/scripts/import-pubchem.rb b/scripts/import-pubchem.rb new file mode 100755 index 0000000..c18bc81 --- /dev/null +++ b/scripts/import-pubchem.rb @@ -0,0 +1,8 @@ +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +include OpenTox + +dataset = Dataset.send("from_pubchem_aid", ARGV[0]) +puts dataset.id.to_s + + diff --git a/scripts/import.rb b/scripts/import.rb new file mode 100755 index 0000000..f166265 --- /dev/null +++ b/scripts/import.rb @@ -0,0 +1,7 @@ +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +include OpenTox + +ext = File.extname(ARGV[0]).sub('.','') +dataset = Dataset.send("from_#{ext}_file", ARGV[0]) +puts dataset.id.to_s diff --git a/scripts/json2csv.rb b/scripts/json2csv.rb new file mode 100755 index 0000000..7c61c5a --- /dev/null +++ b/scripts/json2csv.rb @@ -0,0 +1,28 @@ +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +include OpenTox + +results = JSON.parse File.read(ARGV[0]) +puts "SMILES,#{File.basename(ARGV[0]).sub("pa_","").capitalize},Probability(0),Probability(1),Nr Neighbors,Warnings" +results.each do |s,r| + if r["value"] + puts [ + s, + r["value"], + r["probabilities"]["0"], + r["probabilities"]["1"], + r["neighbors"].size, + r["warnings"], + ].join(",") + else + r["neighbors"] ? n = r["neighbors"].size : n = nil + puts [ + s, + r["value"], + nil, + nil, + n, + r["warnings"], + ].join(",") + end +end diff --git a/scripts/merge.rb b/scripts/merge.rb new file mode 100755 index 0000000..5e9dac4 --- /dev/null +++ b/scripts/merge.rb @@ -0,0 +1,11 @@ +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar.rb' +include OpenTox + +hansen = Dataset.find File.read(ARGV[0]).chomp +efsa = Dataset.find File.read(ARGV[1]).chomp +kazius = Dataset.find File.read(ARGV[2]).chomp +datasets = [hansen,efsa,kazius] +map = {"mutagen" => "1", "nonmutagen" => "0"} +dataset = Dataset.merge datasets: datasets, features: datasets.collect{|d| d.bioactivity_features.first}, value_maps: [nil,nil,map], keep_original_features: true, remove_duplicates: true +puts dataset.id diff --git a/scripts/model.rb b/scripts/model.rb new file mode 100755 index 0000000..b86d33d --- /dev/null +++ b/scripts/model.rb @@ -0,0 +1,7 @@ +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +include OpenTox + +dataset = Dataset.find File.read(ARGV[0]).chomp +model_validation = Model::Validation.from_dataset training_dataset: dataset, prediction_feature: dataset.merged_features.first, species: "Salmonella typhimurium", endpoint: "Mutagenicity", repeats: 3 +puts model_validation.id.to_s diff --git a/scripts/predict.rb b/scripts/predict.rb index 9161f45..57d5a8b 100755 --- a/scripts/predict.rb +++ b/scripts/predict.rb @@ -2,23 +2,7 @@ require_relative '../../lazar/lib/lazar' include OpenTox -train = Dataset.from_csv_file ARGV[0] - -model = Model::LazarClassification.create(training_dataset: train) - -n = 0 -results = {} -File.open(ARGV[1]).each_line do |l| - unless n == 0 - id,smi = l.chomp.split "," - c = Compound.from_smiles smi - result = model.predict c - results[id] = result - end - n += 1 -end - -puts results.to_json - #puts result.inspect - #rcv = Validation::RepeatedCrossValidation.create(model) -#puts "#{rcv.id}" +dataset = Dataset.find(File.read(ARGV[0]).chomp) +model = Model::Validation.find(File.read(ARGV[1]).chomp) +predictions = model.predict dataset.compounds # avoid dataset prediction to keep neighbors +puts predictions.to_json diff --git a/scripts/repeated_crossvalidation_summary.rb b/scripts/repeated_crossvalidation_summary.rb index add66a2..067fea8 100755 --- a/scripts/repeated_crossvalidation_summary.rb +++ b/scripts/repeated_crossvalidation_summary.rb @@ -3,7 +3,13 @@ require_relative '../../lazar/lib/lazar' include OpenTox summary = [] -Validation::RepeatedCrossValidation.find(File.read(ARGV[0]).chomp).crossvalidations.each do |cv| - summary << cv.statistics +#Validation::RepeatedCrossValidation.find(File.read(ARGV[0]).chomp).crossvalidations.each do |cv| +# summary << cv.statistics +#end +cv = Validation::RepeatedCrossValidation.all.last.crossvalidations.each do |cv| +#cv = Validation::RepeatedCrossValidation.find("5bbb9151ca626916248b328b").crossvalidations.first +p cv.id +p cv.statistics end -puts JSON.pretty_generate(summary) + +#puts JSON.pretty_generate(summary) diff --git a/summaries/pa_carcinogenicity_neighbor_sets.json b/summaries/pa_carcinogenicity_neighbor_sets.json deleted file mode 100644 index 36cc03f..0000000 --- a/summaries/pa_carcinogenicity_neighbor_sets.json +++ /dev/null @@ -1 +0,0 @@ -{"nr_predictions":0,"unique_neighbor_sets":0,"unique_neighbor_sets_without_similarity":0} diff --git a/summaries/pa_mutagenicity_neighbor_sets.json b/summaries/pa_mutagenicity_neighbor_sets.json deleted file mode 100644 index e651f00..0000000 --- a/summaries/pa_mutagenicity_neighbor_sets.json +++ /dev/null @@ -1 +0,0 @@ -{"nr_predictions":514,"unique_neighbor_sets":398,"unique_neighbor_sets_without_similarity":232} diff --git a/summaries/weighted_majority_kazius_sim0.1.json b/summaries/weighted_majority_kazius_sim0.1.json deleted file mode 100644 index 394fd7d..0000000 --- a/summaries/weighted_majority_kazius_sim0.1.json +++ /dev/null @@ -1,412 +0,0 @@ -[ - { - "accept_values": [ - "1", - "0" - ], - "confusion_matrix": { - "all": [ - [ - 2103, - 744 - ], - [ 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