Table 4.
Method | NHBTa | TP | FP | FN | Φ | Φ (cv)a | Err% | Err%(cv)a |
---|---|---|---|---|---|---|---|---|
3D | 42 | 29 | 14 | 16 | 0.610 | 0.538 | 0.81 | 0.81 |
PD-lib | 20 | 18 | 3 | 27 | 0.570 | 0.524 | 0.84 | 0.87 |
FD-lib | 16 | 16 | 1 | 29 | 0.562 | 0.483 | 0.84 | 0.89 |
3D/PD-lib | 33 | 31 | 3 | 14 | 0.785 | 0.758 | 0.47 | 0.47 |
3D/FD-lib | 29 | 29 | 1 | 16 | 0.782 | 0.747 | 0.48 | 0.48 |
aNHBT, number of hits below the thresholds; (cv), parameter calculated after 100 runs of 10-fold cross-validation.