Table 10.
Evaluation parameters for the VT and NT consensus predictions after the WoE approach.
| Step 1: End point | Step 2: WoE | |||||||
|---|---|---|---|---|---|---|---|---|
| VT | NT | VT | NT | |||||
| Training | Evaluation | Training | Evaluation | Training | Evaluation | Training | Evaluation | |
| BA | 0.96 | 0.87 | 0.94 | 0.80 | 0.93 | 0.84 | 0.92 | 0.78 |
| Sn | 0.94 | 0.77 | 0.92 | 0.70 | 0.87 | 0.70 | 0.88 | 0.67 |
| Sp | 0.99 | 0.96 | 0.97 | 0.89 | 0.99 | 0.97 | 0.97 | 0.90 |
Note: Corresponding confusion matrices available in Supplemental Material 9. BA, balanced accuracy; NT, nontoxic/toxic; Sn, sensitivity or true negative rate; Sp, specificity or true positive rate; VT, very toxic/not very toxic; WoE, weight of evidence.