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Table 5 Combining public and private data for the SOHN model

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

Public + private (SOHN) ACC BA SENS SPEC PPV NPV MCC KAPPA
5:0 (100% public) 0.73 0.66 0.54 0.78 0.42 0.86 0.30 0.29
5.1 0.84 0.78 0.67 0.88 0.62 0.90 0.54 0.53
5:2 0.83 0.78 0.69 0.87 0.60 0.91 0.53 0.53
5:3 0.83 0.76 0.64 0.86 0.61 0.90 0.51 0.51
5:4 0.81 0.73 0.59 0.87 0.57 0.88 0.46 0.45
5:5 0.83 0.74 0.59 0.89 0.61 0.88 0.49 0.48
4:5 0.83 0.76 0.64 0.88 0.60 0.90 0.51 0.51
3:5 0.83 0.76 0.64 0.88 0.60 0.90 0.51 0.51
2:5 0.93 0.76 0.63 0.89 0.62 0.89 0.52 0.52
1:5 0.84 0.77 0.64 0.89 0.64 0.90 0.53 0.53
0:5 (100% private) 0.82 0.75 0.63 0.87 0.59 0.89 0.49 0.48