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Table 4 Combining public and private data for the RF 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 (RF) ACC BA SENS SPEC PPV NPV MCC KAPPA
5:0 (100% public) 0.74 0.57 0.26 0.88 0.38 0.81 0.16 0.15
5:1 0.83 0.73 0.56 0.91 0.63 0.88 0.49 0.49
5:2 0.83 0.73 0.56 0.91 0.63 0.88 0.49 0.49
5:3 0.82 0.72 0.53 0.90 0.61 0.87 0.45 0.45
5:4 0.82 0.72 0.53 0.91 0.62 0.87 0.46 0.47
5:5 0.83 0.73 0.56 0.91 0.64 0.88 0.49 0.49
4:5 0.82 0.72 0.54 0.90 0.61 0.87 0.47 0.46
3:5 0.83 0.73 0.54 0.91 0.62 0.88 0.47 0.47
2:5 0.84 0.75 0.59 0.91 0.65 0.89 0.52 0.51
1:5 0.82 0.71 0.51 0.91 0.62 0.87 0.46 0.45
0:5 (100% private) 0.82 0.73 0.57 0.89 0.61 0.88 0.48 0.47