Table 9. Overall Performance of Combined Workflow for Ternary Prediction of Skin Sensitization Potential on the Test Set1.
ε | validity | efficiency | ACC | MCC | CCR | SE | SP | NPV | PPV |
---|---|---|---|---|---|---|---|---|---|
0.10 | 0.92 | 0.42 | 0.90 | 0.78 | 0.91 | 0.91 | 0.93 | 0.92 | 0.84 |
0.20 | 0.80 | 0.71 | 0.80 | 0.63 | 0.79 | 0.79 | 0.89 | 0.87 | 0.71 |
0.30 | 0.66 | 0.90 | 0.73 | 0.54 | 0.70 | 0.70 | 0.86 | 0.84 | 0.64 |
All performance measures are reported as the mean of the corresponding performance measure over all classes investigated.