MOESM3 of Efficiency of different measures for defining the applicability domain of classification models
Waldemar Klingspohn, Miriam Mathea, Antonius ter Laak, Heinrich, Nikolaus, Knut Baumann · Figshare · 2017
Additional file 3. Figures of merit (sensitivity, specificity, accuracy, AUC ROC) for all data sets with all CV variants on all descriptors sets (Tables S1â S10). Influence of different descriptor sets for CYP1A2 data set (Table S11). Influence of CV variant for QSAR and hERG data sets (Table S12). MOE descriptors (Table S13).