diff options
author | Christoph Helma <helma@in-silico.ch> | 2018-11-05 21:49:59 +0100 |
---|---|---|
committer | Christoph Helma <helma@in-silico.ch> | 2018-11-05 21:49:59 +0100 |
commit | 0ce24c3e1303ef58b7d395ca49f7c04be18233bd (patch) | |
tree | 7376d1e4386d419cca4ecd86bc0026539954c43d /summaries | |
parent | 2361c6d9259e7ec8eea97f9bff3b24d105b3662a (diff) |
models/predictions with latest lazar version
Diffstat (limited to 'summaries')
-rw-r--r-- | summaries/carcinogenicity-crossvalidations.json | 248 | ||||
-rw-r--r-- | summaries/mutagenicity-merged-crossvalidations.json | 248 | ||||
-rw-r--r-- | summaries/pa_carcinogenicity_neighbor_sets.json | 1 | ||||
-rw-r--r-- | summaries/pa_mutagenicity_neighbor_sets.json | 1 |
4 files changed, 498 insertions, 0 deletions
diff --git a/summaries/carcinogenicity-crossvalidations.json b/summaries/carcinogenicity-crossvalidations.json new file mode 100644 index 0000000..5436af4 --- /dev/null +++ b/summaries/carcinogenicity-crossvalidations.json @@ -0,0 +1,248 @@ +[ + { + "accept_values": [ + "Active", + "Inactive" + ], + "confusion_matrix": { + "all": [ + [ + 336, + 132 + ], + [ + 100, + 263 + ] + ], + "without_warnings": [ + [ + 116, + 23 + ], + [ + 27, + 61 + ] + ] + }, + "weighted_confusion_matrix": { + "all": [ + [ + 153.45134631493917, + 42.47093197752417 + ], + [ + 37.58196183657997, + 103.64446567800823 + ] + ], + "without_warnings": [ + [ + 75.96819598962547, + 12.913675165845362 + ], + [ + 15.657506712679986, + 36.663411657514295 + ] + ] + }, + "accuracy": { + "all": 0.7208182912154031, + "without_warnings": 0.7797356828193832 + }, + "weighted_accuracy": { + "all": 0.7625590950364851, + "without_warnings": 0.797658516701384 + }, + "true_rate": { + "all": { + "Active": 0.717948717948718, + "Inactive": 0.7245179063360881 + }, + "without_warnings": { + "Active": 0.8345323741007195, + "Inactive": 0.6931818181818182 + } + }, + "predictivity": { + "all": { + "Active": 0.7706422018348624, + "Inactive": 0.6658227848101266 + }, + "without_warnings": { + "Active": 0.8111888111888111, + "Inactive": 0.7261904761904762 + } + }, + "nr_predictions": { + "all": 831, + "without_warnings": 227 + } + }, + { + "accept_values": [ + "Active", + "Inactive" + ], + "confusion_matrix": { + "all": [ + [ + 329, + 142 + ], + [ + 104, + 247 + ] + ], + "without_warnings": [ + [ + 108, + 24 + ], + [ + 31, + 58 + ] + ] + }, + "weighted_confusion_matrix": { + "all": [ + [ + 150.98551128877511, + 46.22882090605303 + ], + [ + 38.799341074895864, + 95.2257123709176 + ] + ], + "without_warnings": [ + [ + 71.3147693464019, + 14.19598213270671 + ], + [ + 16.70688872334187, + 33.345913687756735 + ] + ] + }, + "accuracy": { + "all": 0.7007299270072993, + "without_warnings": 0.751131221719457 + }, + "weighted_accuracy": { + "all": 0.7433029836820338, + "without_warnings": 0.7720414523723921 + }, + "true_rate": { + "all": { + "Active": 0.6985138004246284, + "Inactive": 0.7037037037037037 + }, + "without_warnings": { + "Active": 0.8181818181818182, + "Inactive": 0.651685393258427 + } + }, + "predictivity": { + "all": { + "Active": 0.7598152424942263, + "Inactive": 0.6349614395886889 + }, + "without_warnings": { + "Active": 0.7769784172661871, + "Inactive": 0.7073170731707317 + } + }, + "nr_predictions": { + "all": 822, + "without_warnings": 221 + } + }, + { + "accept_values": [ + "Active", + "Inactive" + ], + "confusion_matrix": { + "all": [ + [ + 330, + 137 + ], + [ + 105, + 255 + ] + ], + "without_warnings": [ + [ + 110, + 21 + ], + [ + 27, + 65 + ] + ] + }, + "weighted_confusion_matrix": { + "all": [ + [ + 150.67249542779183, + 43.57542746583502 + ], + [ + 37.57716522204437, + 100.06740845271337 + ] + ], + "without_warnings": [ + [ + 71.17535039157231, + 11.769541487711875 + ], + [ + 15.060676378088049, + 38.476602458028175 + ] + ] + }, + "accuracy": { + "all": 0.7073760580411125, + "without_warnings": 0.7847533632286996 + }, + "weighted_accuracy": { + "all": 0.7554853046484636, + "without_warnings": 0.8034159500456096 + }, + "true_rate": { + "all": { + "Active": 0.7066381156316917, + "Inactive": 0.7083333333333334 + }, + "without_warnings": { + "Active": 0.8396946564885496, + "Inactive": 0.7065217391304348 + } + }, + "predictivity": { + "all": { + "Active": 0.7586206896551724, + "Inactive": 0.6505102040816326 + }, + "without_warnings": { + "Active": 0.8029197080291971, + "Inactive": 0.7558139534883721 + } + }, + "nr_predictions": { + "all": 827, + "without_warnings": 223 + } + } +] diff --git a/summaries/mutagenicity-merged-crossvalidations.json b/summaries/mutagenicity-merged-crossvalidations.json new file mode 100644 index 0000000..a94bc39 --- /dev/null +++ b/summaries/mutagenicity-merged-crossvalidations.json @@ -0,0 +1,248 @@ +[ + { + "accept_values": [ + "0", + "1" + ], + "confusion_matrix": { + "all": [ + [ + 3099, + 569 + ], + [ + 822, + 3345 + ] + ], + "without_warnings": [ + [ + 1586, + 257 + ], + [ + 455, + 2562 + ] + ] + }, + "weighted_confusion_matrix": { + "all": [ + [ + 1825.8141115350863, + 239.26110202207587 + ], + [ + 375.270979807613, + 2206.9759729086486 + ] + ], + "without_warnings": [ + [ + 1142.371011683281, + 137.4494532342676 + ], + [ + 255.8018111377872, + 1870.9135274597108 + ] + ] + }, + "accuracy": { + "all": 0.8224633056796427, + "without_warnings": 0.8534979423868313 + }, + "weighted_accuracy": { + "all": 0.8677664126043435, + "without_warnings": 0.8845597736074645 + }, + "true_rate": { + "all": { + "0": 0.8448745910577972, + "1": 0.802735781137509 + }, + "without_warnings": { + "0": 0.8605534454693434, + "1": 0.8491879350348028 + } + }, + "predictivity": { + "all": { + "0": 0.7903596021423106, + "1": 0.8546244251405212 + }, + "without_warnings": { + "0": 0.7770700636942676, + "1": 0.9088329194749911 + } + }, + "nr_predictions": { + "all": 7835, + "without_warnings": 4860 + } + }, + { + "accept_values": [ + "0", + "1" + ], + "confusion_matrix": { + "all": [ + [ + 3069, + 557 + ], + [ + 854, + 3351 + ] + ], + "without_warnings": [ + [ + 1565, + 256 + ], + [ + 476, + 2549 + ] + ] + }, + "weighted_confusion_matrix": { + "all": [ + [ + 1810.318628215787, + 233.67356234009483 + ], + [ + 387.0792766860852, + 2212.386451493547 + ] + ], + "without_warnings": [ + [ + 1126.5728871581375, + 135.1342782949104 + ], + [ + 266.4492890477603, + 1862.0755758941107 + ] + ] + }, + "accuracy": { + "all": 0.8198186693908824, + "without_warnings": 0.8489475856376393 + }, + "weighted_accuracy": { + "all": 0.8663166868549504, + "without_warnings": 0.8815468782837582 + }, + "true_rate": { + "all": { + "0": 0.8463872035300607, + "1": 0.7969084423305589 + }, + "without_warnings": { + "0": 0.8594179022515102, + "1": 0.8426446280991735 + } + }, + "predictivity": { + "all": { + "0": 0.7823094570481774, + "1": 0.8574718526100307 + }, + "without_warnings": { + "0": 0.766780989710926, + "1": 0.9087344028520499 + } + }, + "nr_predictions": { + "all": 7831, + "without_warnings": 4846 + } + }, + { + "accept_values": [ + "0", + "1" + ], + "confusion_matrix": { + "all": [ + [ + 3076, + 553 + ], + [ + 842, + 3361 + ] + ], + "without_warnings": [ + [ + 1586, + 254 + ], + [ + 469, + 2548 + ] + ] + }, + "weighted_confusion_matrix": { + "all": [ + [ + 1805.3122361998553, + 232.77103605058764 + ], + [ + 381.38048768013346, + 2206.8267768453834 + ] + ], + "without_warnings": [ + [ + 1143.4893814423883, + 135.34466711778134 + ], + [ + 263.41182937917057, + 1857.3554201525108 + ] + ] + }, + "accuracy": { + "all": 0.8218845760980592, + "without_warnings": 0.8511426806670784 + }, + "weighted_accuracy": { + "all": 0.8672475239398345, + "without_warnings": 0.882704922862346 + }, + "true_rate": { + "all": { + "0": 0.8476164232570956, + "1": 0.7996669045919581 + }, + "without_warnings": { + "0": 0.8619565217391304, + "1": 0.8445475638051044 + } + }, + "predictivity": { + "all": { + "0": 0.7850944359367024, + "1": 0.8587123147675013 + }, + "without_warnings": { + "0": 0.7717761557177616, + "1": 0.9093504639543183 + } + }, + "nr_predictions": { + "all": 7832, + "without_warnings": 4857 + } + } +] diff --git a/summaries/pa_carcinogenicity_neighbor_sets.json b/summaries/pa_carcinogenicity_neighbor_sets.json new file mode 100644 index 0000000..30e8f6c --- /dev/null +++ b/summaries/pa_carcinogenicity_neighbor_sets.json @@ -0,0 +1 @@ +{"nr_predictions":443,"unique_neighbor_sets":318,"unique_neighbor_sets_without_similarity":46} diff --git a/summaries/pa_mutagenicity_neighbor_sets.json b/summaries/pa_mutagenicity_neighbor_sets.json new file mode 100644 index 0000000..cec5683 --- /dev/null +++ b/summaries/pa_mutagenicity_neighbor_sets.json @@ -0,0 +1 @@ +{"nr_predictions":556,"unique_neighbor_sets":416,"unique_neighbor_sets_without_similarity":236} |