Skip to main content

Table 4 External validation results

From: Predicting liver cytosol stability of small molecules

DescriptorMethodAUC-ROCBACCSensitivitySpecificity
MOEBayesNet0.620.600.750.45
RF0.730.640.630.66
SVM—MU0.510.560.350.86
RDKitBayesNet0.560.570.500.64
RF—MU0.680.610.710.52
SVM—MU0.620.540.150.94
QNABayesNet0.630.620.630.60
RF—DU0.500.580.250.89
SVM—MU0.600.570.630.52
GraphsGCNN0.480.530.380.68