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Table 9 Combining all the models

From: Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting

Models ACC BA SENS SPEC PPV NPV MCC KAPPA
Pure expert (Derek) 0.75 0.64 0.43 0.8 0.4 0.84 0.27 0.27
RF-SOHNMerck+ChEMBL (2:5) 0.85 0.78 0.66 0.91 0.67 0.9 0.57 0.57
RF-SOHNMerck+ChEMBL+Derek (2:5) 0.86 0.77 0.61 0.93 0.72 0.89 0.58 0.57