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

Table 9 Combining all the models

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-SOHN_{Merck+ChEMBL (2:5)}	0.85	0.78	0.66	0.91	0.67	0.9	0.57	0.57
RF-SOHN_{Merck+ChEMBL+Derek (2:5)}	0.86	0.77	0.61	0.93	0.72	0.89	0.58	0.57

ISSN: 1758-2946