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Table 3 Cross-validation results

From: Predicting liver cytosol stability of small molecules

Descriptor Methoda AUC-ROC BACC Sensitivity Specificity
MOE BayesNet—DU 0.81 0.76 0.72 0.79
RF—MU 0.86 0.78 0.79 0.76
SVM—DU 0.85 0.77 0.79 0.76
RDKit BayesNet 0.79 0.73 0.61 0.85
RF—MU 0.86 0.78 0.78 0.78
SVM—DU 0.83 0.77 0.83 0.72
QNA BayesNet—MU 0.75 0.69 0.62 0.75
RF—MU 0.83 0.75 0.72 0.78
SVM—DU 0.85 0.80 0.80 0.80
  1. aDU and MU stand for diversity under-sampling and multiple under-sampling, respectively