Skip to main content

Table 3 Cross-validation results

From: Predicting liver cytosol stability of small molecules

DescriptorMethodaAUC-ROCBACCSensitivitySpecificity
MOEBayesNet—DU0.810.760.720.79
RF—MU0.860.780.790.76
SVM—DU0.850.770.790.76
RDKitBayesNet0.790.730.610.85
RF—MU0.860.780.780.78
SVM—DU0.830.770.830.72
QNABayesNet—MU0.750.690.620.75
RF—MU0.830.750.720.78
SVM—DU0.850.800.800.80
  1. aDU and MU stand for diversity under-sampling and multiple under-sampling, respectively