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Table 1 Classification of actives and inactives in external set by different models for ER-LBD

From: Computational methods for prediction of in vitro effects of new chemical structures

ER-LBD True positives/actives (out of 20) True negatives/inactives (out of 580) Cross-validation AUC External set AUC
NB with ECFP4 9 500 0.76 0.71
NB with MACCS 8 468 0.73 0.69
RF with ECFP4 2 574 0.82 0.78
RF with MACCS 4 576 0.83 0.81
PNN with ECFP4 0 580 0.77 0.69
PNN with MACCS 0 580 0.78 0.69