Table 1.
Comparison of standard setting results with best optimization results.
The best feature pharmacophore | AUC100% | EF1% | EF5% | Sensitivity | Specificity |
---|---|---|---|---|---|
Default setting result | 0.83 | 5.,0 | 12.0 | 0.857 | 0.309 |
Best optimization results | 0.93 | 34.0 | 6.0 | 1.00 | 0.79 |