Table 4.
Excluded feature | Precision | Recall | F1 score | MCC |
Side-chain van der Waals | 0.49 ± 0.04 | 0.62 ± 0.03 | 0.54 ± 0.02 | 0.39 ± 0.02 |
Side-chain hydrogen bond | 0.50 ± 0.04 | 0.58 ± 0.05 | 0.54 ± 0.02 | 0.39 ± 0.03 |
Side-chain desolvation | 0.49 ± 0.03 | 0.63 ± 0.04 | 0.55 ± 0.02 | 0.40 ± 0.03 |
Environment desolvation | 0.50 ± 0.05 | 0.59 ± 0.05 | 0.54 ± 0.04 | 0.39 ± 0.04 |
Here, only features that if omitted lead to a decrease in performance are reported (see Additional file 2: Supplemental Table S3 for all features).