Created all datasets on ot0 (jl branch) and updated/added feature

datasets (electronic,cpsa, constitutional, topological, hybrid and
joelib)

24 files changed, 9489 insertions, 9348 deletions

diff --git a/cv/data/csv/FHM_constitutional.csv b/cv/data/csv/FHM_constitutional.csv
index 3a08a68..65b01bc 100644
--- a/cv/data/csv/FHM_constitutional.csv
+++ b/cv/data/csv/FHM_constitutional.csv
@@ -1,568 +1,536 @@
-SMILES,nAtomLC,nB,ALogP,nRotB,MLogP,XLogP,AMR,nAtom,ALogp2,nAtomP
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\ No newline at end of file
diff --git a/cv/data/csv/FHM_electronic_cpsa.csv b/cv/data/csv/FHM_electronic_cpsa.csv
index e2f4c84..16ec5d2 100644
--- a/cv/data/csv/FHM_electronic_cpsa.csv
+++ b/cv/data/csv/FHM_electronic_cpsa.csv
@@ -1,568 +1,536 @@
-SMILES,PPSA-1,WPSA-1,WNSA-1,apol,bpol,FPSA-3,RNCG,RNCS,nHBAcc,RPCG,THSA,PNSA-1,RPCS
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\ No newline at end of file
diff --git a/cv/data/csv/FHM_hybrid.csv b/cv/data/csv/FHM_hybrid.csv
new file mode 100644
index 0000000..62449ce
--- /dev/null
+++ b/cv/data/csv/FHM_hybrid.csv
@@ -0,0 +1,536 @@
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\ No newline at end of file
diff --git a/cv/data/csv/FHM_joelib.csv b/cv/data/csv/FHM_joelib.csv
new file mode 100644
index 0000000..04a37a9
--- /dev/null
+++ b/cv/data/csv/FHM_joelib.csv
@@ -0,0 +1,536 @@
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\ No newline at end of file
diff --git a/cv/data/csv/FHM_topological.csv b/cv/data/csv/FHM_topological.csv
index 32417e2..83637c7 100644
--- a/cv/data/csv/FHM_topological.csv
+++ b/cv/data/csv/FHM_topological.csv
@@ -1,536 +1,536 @@
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\ No newline at end of file
diff --git a/cv/data/csv/LOAEL_constitutional.csv b/cv/data/csv/LOAEL_constitutional.csv
index 6b51b11..2a02bb7 100644
--- a/cv/data/csv/LOAEL_constitutional.csv
+++ b/cv/data/csv/LOAEL_constitutional.csv
@@ -1,440 +1,440 @@
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\ No newline at end of file
diff --git a/cv/data/csv/LOAEL_electronic_cpsa.csv b/cv/data/csv/LOAEL_electronic_cpsa.csv
index c898ef4..bdcdf24 100644
--- a/cv/data/csv/LOAEL_electronic_cpsa.csv
+++ b/cv/data/csv/LOAEL_electronic_cpsa.csv
@@ -1,440 +1,440 @@
-SMILES,THSA,apol,bpol,RNCS,RPSA,RPCS,RHSA,FPSA-2,TPSA,FPSA-3
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\ No newline at end of file
diff --git a/cv/data/csv/LOAEL_hybrid.csv b/cv/data/csv/LOAEL_hybrid.csv
new file mode 100644
index 0000000..0e98d35
--- /dev/null
+++ b/cv/data/csv/LOAEL_hybrid.csv
@@ -0,0 +1,440 @@
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\ No newline at end of file
diff --git a/cv/data/csv/LOAEL_joelib.csv b/cv/data/csv/LOAEL_joelib.csv
new file mode 100644
index 0000000..64a480e
--- /dev/null
+++ b/cv/data/csv/LOAEL_joelib.csv
@@ -0,0 +1,440 @@
+SMILES,KierShape1,GraphShapeCoefficient,GeometricalDiameter,PolarSurfaceArea,KierShape2,FractionRotatableBonds,NumberOfBonds,NO2Groups,AliphaticOHGroups,MolarRefractivity,KierShape3,NumberOfHal,TopologicalDiameter,OSOGroups,HeavyBonds,HBD1,AromaticOHGroups,MolecularWeight,HydrophobicGroups,HBD2,RotatableBonds,SO2Groups,GeometricalRadius,HBA1,AromaticBonds,ZagrebIndex1,TopologicalRadius,LogP,NumberOfAtoms,HeteroCycles,HBA2,BasicGroups,AcidicGroups
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\ No newline at end of file
diff --git a/cv/data/csv/LOAEL_topological.csv b/cv/data/csv/LOAEL_topological.csv
index 9bf6256..74e43c0 100644
--- a/cv/data/csv/LOAEL_topological.csv
+++ b/cv/data/csv/LOAEL_topological.csv
@@ -1,440 +1,440 @@
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\ No newline at end of file
diff --git a/cv/data/csv/MDD_constitutional.csv b/cv/data/csv/MDD_constitutional.csv
deleted file mode 100644
index 8240a8d..0000000
--- a/cv/data/csv/MDD_constitutional.csv
+++ /dev/null
@@ -1,1196 +0,0 @@
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\ No newline at end of file
diff --git a/cv/data/csv/MDD_electronic_cpsa.csv b/cv/data/csv/MDD_electronic_cpsa.csv
deleted file mode 100644
index 0739616..0000000
--- a/cv/data/csv/MDD_electronic_cpsa.csv
+++ /dev/null
@@ -1,1196 +0,0 @@
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\ No newline at end of file
diff --git a/cv/data/csv/MDD_topological.csv b/cv/data/csv/MDD_topological.csv
deleted file mode 100644
index 8cbb2b1..0000000
--- a/cv/data/csv/MDD_topological.csv
+++ /dev/null
@@ -1,1196 +0,0 @@
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\ No newline at end of file
diff --git a/cv/data/csv/MOU_constitutional.csv b/cv/data/csv/MOU_constitutional.csv
index 6489f64..7003c59 100644
--- a/cv/data/csv/MOU_constitutional.csv
+++ b/cv/data/csv/MOU_constitutional.csv
@@ -1,402 +1,402 @@
-SMILES,nAtomP,nB,nAtomLC,naAromAtom,nAromBond,ALogP,nRotB,MLogP,XLogP,LipinskiFailures,ALogp2,AMR,nAtomLAC,nHBDon,nAtom
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-InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2,17,21,0,12,12,0.500100016593933,0,2.45000004768372,3.49000000953674,0,0.250100016593933,32.1123008728027,0,1,26
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-InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2,10,20,6,12,12,-0.361600011587143,5,2.89000010490417,6.27099990844727,1,0.130754560232162,25.5445995330811,3,1,34
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\ No newline at end of file
diff --git a/cv/data/csv/MOU_electronic_cpsa.csv b/cv/data/csv/MOU_electronic_cpsa.csv
index 99212f2..bea673c 100644
--- a/cv/data/csv/MOU_electronic_cpsa.csv
+++ b/cv/data/csv/MOU_electronic_cpsa.csv
@@ -1,402 +1,402 @@
-SMILES,RNCG,THSA,WPSA-3,bpol,WNSA-3,DPSA-3,apol,RNCS,FNSA-1,RPSA,RPCG,RHSA,RPCS,FNSA-3,nHBAcc,PPSA-1,PNSA-1,FPSA-1,TPSA,FPSA-2,FPSA-3,WPSA-1,PPSA-3,PNSA-3,DPSA-1,WNSA-1
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\ No newline at end of file
diff --git a/cv/data/csv/MOU_hybrid.csv b/cv/data/csv/MOU_hybrid.csv
new file mode 100644
index 0000000..97cae3b
--- /dev/null
+++ b/cv/data/csv/MOU_hybrid.csv
@@ -0,0 +1,402 @@
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\ No newline at end of file
diff --git a/cv/data/csv/MOU_joelib.csv b/cv/data/csv/MOU_joelib.csv
new file mode 100644
index 0000000..664ae57
--- /dev/null
+++ b/cv/data/csv/MOU_joelib.csv
@@ -0,0 +1,402 @@
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\ No newline at end of file
diff --git a/cv/data/csv/MOU_topological.csv b/cv/data/csv/MOU_topological.csv
index f648d86..1da32ee 100644
--- a/cv/data/csv/MOU_topological.csv
+++ b/cv/data/csv/MOU_topological.csv
@@ -1,402 +1,402 @@
-SMILES,Kier3,VP-1,VC-3,SC-3,SCH-7,C1SP2,VP-2,VC-5,MDEO-11,C1SP3,VP-3,MDEC-22,MDEN-23,MDEC-23,ATSc1,VPC-4,MDEC-12,VP-4,ATSc2,ATSm1,TopoPSA,VPC-5,MDEC-13,MDEN-13,ATSc3,ATSm2,VPC-6,VP-6,ATSc4,fragC,ATSm3,VCH-6,C2SP2,ATSc5,VCH-7,ATSm4,C2SP3,ATSm5,Kier2,VP-0
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-InChI%3D1S%2FC4H12N2%2Fc1-2-3-4-6-5%2Fh6H%2C2-5H2%2C1H3,5.3333334923,2.3493351936,0.0,0.0,0.0,0.0,1.3076775074,0.0,0.0,2.0,0.6746676564,2.3811016083,0.0,0.0,0.025823677,0.0,1.6509636641,0.2788387537,-0.0078786593,6.7199759483,38.0499992371,0.0,0.0,0.0,-0.0044085309,5.5261731148,0.0,0.0,-0.0005869415,259.0199890137,4.3323702812,0.0,0.0,-3.67218563042115e-05,0.0,3.3323705196,2.0,2.3323705196,5.0,4.1986703873
-InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29,3.7869822979,3.1342904568,0.1392350346,0.612372458,0.0721687824,0.0,1.9646321535,0.0,0.0,0.0,1.0990283489,6.0836434364,0.0,3.5814652443,0.1539541334,0.1658425629,0.0,0.6528558135,-0.0955063999,12.8544330597,68.1399993896,0.1662546098,0.0,0.0,-0.017123593,12.1906356812,0.1518551111,0.1233762875,0.0571937189,290.0400085449,15.1316614151,0.032075014,0.0,-0.0120377261,0.016037507,11.5781946182,6.0,7.9968328476,4.7928996086,5.8339648247
-InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,1.8595041037,4.2842926979,0.2357022613,0.5374574661,0.3103012145,0.0,2.9376137257,0.013888889,0.0,1.0,1.9756555557,5.575545311,0.0,8.8311405182,0.3440923393,0.4732709825,1.8618652821,1.3851307631,-0.2563486099,13.5489377975,18.4599990845,0.6438125968,0.6694329381,0.0,0.0865051746,14.328368187,0.5959459543,0.4485070109,-0.0020131671,493.0199890137,19.1028366089,0.0580769517,0.0,-0.0001866357,0.0647992268,15.328368187,7.0,10.9962759018,3.8062283993,7.1698675156
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,3.515625,5.6267523766,0.3829511106,0.8563047051,0.0,0.0,3.7194476128,0.0766553283,1.6688178778,2.0,2.7813177109,0.200000003,0.0,3.6144080162,0.4430367947,1.0050933361,0.0,1.4037736654,-0.0266477242,101.6140594482,80.9199981689,1.1062556505,0.0,0.0,-0.2430611849,23.6337184906,1.0867909193,0.356231004,0.0010676476,397.0599975586,27.9620876312,0.0,0.0,0.0024790815,0.0,47.3452606201,4.0,41.9066085815,5.6122450829,9.4403905869
-InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,3.5,4.6382317543,0.241202265,0.612372458,0.1900199205,0.0,3.1291866302,0.0,0.0,0.0,2.0351781845,11.3306121826,0.0,10.1704950333,0.1100583524,0.3922787607,0.0,1.2937743664,-0.0166268162,16.4944458008,41.4599990845,0.4546884894,0.0,0.0,-0.0247409437,17.0520210266,0.4623869359,0.3471722901,-0.0076889838,466.0299987793,21.329202652,0.0598527938,0.0,-0.0368259773,0.0423489958,19.6612949371,12.0,14.1627397537,5.9149999619,8.0516147614
-InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3,4.0,1.5653373003,0.0,0.0,0.0,1.0,0.7112978101,0.0,0.0,1.0,0.3779644668,1.0,0.0,0.0,0.0276564416,0.0,1.4142135382,0.0,-0.0138107101,11.7127532959,0.0,0.0,0.0,0.0,0.0040862467,4.9517374039,0.0,0.0,-0.0041037574,52.0099983215,3.9517374039,0.0,1.0,0.0,0.0,2.9517374039,0.0,0.0,3.0,3.2885940075
-InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3,2.3333332539,7.4696249962,0.6923378706,1.7003178596,1.0178195238,1.0,5.752863884,0.1557089984,0.25,1.0,4.5042905807,3.6358773708,0.0,18.3096237183,0.8549684882,1.6596895456,0.9441739917,3.4317073822,-0.3427821398,28.6468143463,74.2200012207,2.5375342369,2.4911732674,0.0,0.0621128529,31.3209190369,3.1051435471,1.5224833488,-0.5452412963,1048.0600585938,48.7558479309,0.166238144,2.0,0.6631947756,0.2456454039,54.306022644,9.0,56.4026641846,6.0205516815,12.6072568893
-InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-10%289%298-6-4-2%2Fh3-9H2%2C1-2H3,7.0,4.3048682213,0.1290994436,0.2886751294,0.0,0.0,2.7430756092,0.0,0.0,4.0,1.5977611542,6.1204638481,0.0,0.0,0.0538135991,0.1825741827,3.6513445377,0.8342121243,-0.0235660188,10.7199764252,29.2600002289,0.1936491728,0.0,1.0,-0.0054085972,9.6923589706,0.2203865349,0.2140155882,0.0014878319,751.0200195313,9.6647405624,0.0,0.0,0.000510912,0.0,8.6647405624,4.0,7.6647410393,7.1111111641,7.2672047615
-InChI%3D1S%2FC12H12N2O2%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6%2C15-16H%2C13-14H2,2.8311111927,4.7506318092,0.4624327719,1.2761423588,0.3507329524,0.0,3.5471897125,0.0708109289,0.1428571492,0.0,2.3942070007,5.4696316719,0.0,15.008058548,0.2237230837,0.8526150584,0.0,1.4464733601,-0.0484069698,18.268913269,92.5,0.868088901,0.0,0.0,-0.1020797789,17.9965553284,0.9890214801,0.502102375,0.0427583903,601.0399780273,25.9931087494,0.0481125228,0.0,0.0119159818,0.0733506158,27.1000404358,10.0,17.6607379913,5.1041665077,8.5132293701
-InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29,8.3333330154,3.2925362587,0.3517630398,1.428869009,0.0,3.0,2.3263776302,0.0,3.1143274307,3.0,1.0766016245,1.5,0.0,4.326748848,0.7227678895,0.3237733543,0.0,0.74156636,-0.3522323966,18.0068016052,115.1399993896,0.4439505041,0.0,0.0,-0.2413890511,14.4911079407,0.307429105,0.1227291152,0.632417202,285.0700073242,19.8145141602,0.0,0.0,-0.1229046434,0.0,15.3207960129,0.0,18.9851036072,6.4533333778,6.6349196434
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-InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,4.5,3.9551861286,0.2041241527,0.2041241527,0.0,0.0,2.5990765095,0.0,0.0,3.0,1.8014749289,4.6105394363,0.0,3.4941356182,0.0831926763,0.4397487938,3.6046543121,0.9173099399,-0.0340108722,9.7744693756,20.2299995422,0.4022364616,0.7071067691,0.0,-0.0063788388,8.3320922852,0.2497676909,0.2088872939,-0.0011655277,604.0100097656,8.3320922852,0.0,0.0,-4.08006890211254e-05,0.0,8.6641836166,4.0,6.6641840935,6.125,6.5600976944
-InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,,2.4432008266,1.4578629732,0.5773502588,0.0,0.0,3.3137359619,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.129209727,0.0,0.0,0.0,-0.0963552892,62.6835975647,0.0,0.0,0.0,0.0,0.0317504257,12.5561504364,0.0,0.0,0.0,4.0300002098,47.986656189,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3333333731,4.8090982437
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,1.3333333731,1.8497310877,0.0,0.0,0.0,0.0,1.0245639086,0.0,0.0,2.0,0.5664874315,6.0836434364,0.0,0.0,0.0639998093,0.0,0.0,0.3126020133,-0.0352250934,6.3599882126,12.8900003433,0.0,0.0,0.0,0.0005251389,6.3323702812,0.0,0.0,0.0027000501,91.0100021362,6.3323702812,0.0286887661,0.0,0.0,0.0,3.1661851406,3.0,0.0,2.2222223282,3.3339648247
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,1.7999999523,2.9713437557,0.1178511307,0.2041241527,0.0721687824,0.0,1.8391519785,0.0,0.0,1.0,1.2510730028,7.7323160172,0.0,3.9654064178,0.0,0.2539339066,2.0041451454,0.7137128115,0.0,8.0,0.0,0.2539339066,0.5,0.0,0.0,8.0,,0.1239283383,0.0,268.0,9.0,0.032075014,0.0,0.0,0.0226804614,7.0,6.0,3.0,3.1111111641,5.093858242
-InChI%3D1S%2FC12H10FN%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C14H2,2.75,4.3703918457,0.3258858025,0.9106836319,0.2628917098,0.0,3.1289014816,0.027777778,0.0,0.0,2.0882387161,9.9074840546,0.0,14.0599384308,0.1120929196,0.5687505603,0.0,1.3179084063,-0.0352818109,15.8620319366,26.0200004578,0.6301121712,0.0,0.0,-0.0192091558,15.7479705811,0.6682991385,0.4227760136,-0.0014599584,443.0199890137,21.4959411621,0.055555556,0.0,0.0004186435,0.0543142967,19.4959411621,10.0,12.7479705811,4.6799998283,7.5741167068
-InChI%3D1S%2FC2HCl3O2%2Fc3-2%284%2C5%291%286%297%2Fh%28H%2C6%2C7%29,2.6666667461,2.3785710335,1.7388607264,1.6547005177,0.0,1.0,3.0841441154,0.176053673,0.5,1.0,0.7275019288,0.0,0.0,0.0,0.3770618737,0.9801744223,0.0,0.0,-0.1289126873,31.6871986389,37.2999992371,0.3117865622,0.0,0.0,-0.1866366863,12.5193958282,0.0,0.0,0.1270184368,7.0500001907,39.4321250916,0.0,0.0,0.0,0.0,23.5919132233,0.0,0.0,1.8518518209,5.257142067
\ No newline at end of file
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\ No newline at end of file
diff --git a/cv/data/csv/RAT_constitutional.csv b/cv/data/csv/RAT_constitutional.csv
index 253ca4c..bab7f59 100644
--- a/cv/data/csv/RAT_constitutional.csv
+++ b/cv/data/csv/RAT_constitutional.csv
@@ -1,512 +1,512 @@
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\ No newline at end of file
diff --git a/cv/data/csv/RAT_electronic_cpsa.csv b/cv/data/csv/RAT_electronic_cpsa.csv
index 876c6d7..3d82b60 100644
--- a/cv/data/csv/RAT_electronic_cpsa.csv
+++ b/cv/data/csv/RAT_electronic_cpsa.csv
@@ -1,512 +1,512 @@
-SMILES,WPSA-3,TPSA,apol,bpol,RNCG,PPSA-3,DPSA-1,RNCS,RPSA,FNSA-1,RPCG,THSA,RPCS,FNSA-3,nHBAcc,RHSA,FPSA-1,FPSA-2,FPSA-3,PNSA-3
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\ No newline at end of file
diff --git a/cv/data/csv/RAT_hybrid.csv b/cv/data/csv/RAT_hybrid.csv
new file mode 100644
index 0000000..cb3e2a1
--- /dev/null
+++ b/cv/data/csv/RAT_hybrid.csv
@@ -0,0 +1,512 @@
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\ No newline at end of file
diff --git a/cv/data/csv/RAT_joelib.csv b/cv/data/csv/RAT_joelib.csv
new file mode 100644
index 0000000..047bc66
--- /dev/null
+++ b/cv/data/csv/RAT_joelib.csv
@@ -0,0 +1,512 @@
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\ No newline at end of file
diff --git a/cv/data/csv/RAT_topological.csv b/cv/data/csv/RAT_topological.csv
index d707006..c3a1e40 100644
--- a/cv/data/csv/RAT_topological.csv
+++ b/cv/data/csv/RAT_topological.csv
@@ -1,512 +1,512 @@
-SMILES,ATSc5,ATSm5,C1SP3,VP-3,SC-4,fragC,SP-3,SCH-5,SC-5,SCH-6,SCH-7,ECCEN,VCH-5,SP-6,ATSp1,VCH-6,ATSp2,VCH-7,MDEC-22,MDEC-33,MDEC-11,MDEN-23,ATSc1,TopoPSA,ATSm1,MDEC-23,MDEO-11,Kier1,MDEC-12,Kier2,ATSc2,VC-3,MDEC-13,ATSm2,MDEO-12,SPC-6,ATSc3,Kier3,SC-3,VPC-4,ATSm3,ATSc4,C1SP2,ATSm4,VC-5
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\ No newline at end of file
diff --git a/cv/data/datasets.yaml b/cv/data/datasets.yaml
index f494a55..ccc491a 100644
--- a/cv/data/datasets.yaml
+++ b/cv/data/datasets.yaml
@@ -1,44 +1,57 @@
 {
 
   "MDD": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6248",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6848",
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6903",
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6251"
+    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/14"  #,
+#    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/",
+#    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/",
+#    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/",
+#    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/",
+#    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/",
+#    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/"
   },
   
   "FHM": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6244",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6841",
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6899",
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6847"
+    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/6",
+    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/83",
+    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/87",
+    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/96",
+    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/100",
+    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/84"  #,
+#    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/115"
   },
   
   "RAT": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6258",
-    "training": "http://toxcreate3.in-silico.ch:8086/dataset/6263",
-    "test": "http://toxcreate3.in-silico.ch:8086/dataset/6261",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6260", # A
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6259", # A
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6262"  # N
+    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/7",
+    "training": "http://toxcreate3.in-silico.ch:8080/dataset/12",
+    "test": "http://toxcreate3.in-silico.ch:8080/dataset/13",
+    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/99",
+    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/112",
+    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/109",
+    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/107",
+    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/90"  #,
+#    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/"
   },
 
   "MOU": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6252",
-    "training": "http://toxcreate3.in-silico.ch:8086/dataset/6257",
-    "test": "http://toxcreate3.in-silico.ch:8086/dataset/6255",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6254", # A
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6884", # ALL
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6256"  # A
+    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/8",
+    "training": "http://toxcreate3.in-silico.ch:8080/dataset/10",
+    "test": "http://toxcreate3.in-silico.ch:8080/dataset/11",
+    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/97",
+    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/102",
+    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/108",
+    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/103",
+    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/94"  #,
+#    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/"
   },
 
   "LOAEL": {
-    "dataset": "http://toxcreate3.in-silico.ch:8086/dataset/6981",
-    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8086/dataset/6835",
-    "constitutional": "http://toxcreate3.in-silico.ch:8086/dataset/6833",
-    "topological": "http://toxcreate3.in-silico.ch:8086/dataset/6905"
+    "dataset": "http://toxcreate3.in-silico.ch:8080/dataset/9",
+    "electronic,cpsa": "http://toxcreate3.in-silico.ch:8080/dataset/98",
+    "constitutional": "http://toxcreate3.in-silico.ch:8080/dataset/114",
+    "topological": "http://toxcreate3.in-silico.ch:8080/dataset/110",
+    "hybrid": "http://toxcreate3.in-silico.ch:8080/dataset/111",
+    "joelib": "http://toxcreate3.in-silico.ch:8080/dataset/92"  #,
+#    "all_pc": "http://toxcreate3.in-silico.ch:8080/dataset/"
   }
 
-
-
 }