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Table 7 Combining the statistical model SOHN with the expert system Derek Nexus

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

SOHN + Derek Nexus ACC BA SENS SPEC PPV NPV MCC KAPPA
Pure statistical (SOHN) 0.82 0.75 0.63 0.87 0.59 0.89 0.49 0.48
Confidence < 0.6 0.83 0.75 0.60 0.90 0.63 0.89 0.51 0.51
Confidence < 0.7 0.84 0.75 0.59 0.91 0.64 0.89 0.51 0.51
Confidence < 0.8 0.83 0.71 0.49 0.93 0.67 0.86 0.47 0.46
Confidence < 0.9 0.81 0.69 0.47 0.91 0.60 0.86 0.42 0.41
Pure expert (Derek Nexus) 0.75 0.64 0.43 0.80 0.40 0.84 0.27 0.27