diff options
Diffstat (limited to '10-fold-crossvalidations/tensorflow/pred_ext.csv')
| -rw-r--r-- | 10-fold-crossvalidations/tensorflow/pred_ext.csv | 8081 |
1 files changed, 8081 insertions, 0 deletions
diff --git a/10-fold-crossvalidations/tensorflow/pred_ext.csv b/10-fold-crossvalidations/tensorflow/pred_ext.csv new file mode 100644 index 0000000..ce561b2 --- /dev/null +++ b/10-fold-crossvalidations/tensorflow/pred_ext.csv @@ -0,0 +1,8081 @@ +name,pred +CC(C(=O)NCc1ccccc1)Br,0.4898928701877594 +CCC(=O)Nc1snc2c1cc(C)cc2,0.5924276113510132 +CCOC(=O)N(CCOC(=O)C)N=O,0.5938374400138855 +[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.5560699701309204 +OC(=O)CN(CC(=O)O)CC(=O)O,0.4432794153690338 +Nc1ncnc2c1ncn2Cc1ccccc1,0.6007256507873535 +O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.3681044280529022 +Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6092429161071777 +OCC[N+](C)(C)C,0.37065955996513367 +Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.6831573247909546 +O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.31026870012283325 +O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.5312442779541016 +OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.6810703873634338 +COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.4002860486507416 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