Table 1. Cross-validation results for the newly included models in the ProTox-II platform in terms of balanced accuracy, AUC–ROC and kappa value.
| Models | Balanced accuracy (%) | AUC–ROC | Kappa | Sensitivity (%) | Specificity (%) |
|---|---|---|---|---|---|
| Organ toxicity | |||||
| DILI | 82.00 | 0.86 | 0.69 | 75.00 | 89.00 |
| Toxicity endpoints | |||||
| Mutagenicity | 84.00 | 0.90 | 0.70 | 83.00 | 85.00 |
| Carcinogenicity | 81.24 | 0.85 | 0.69 | 80.00 | 81.00 |
| Cytotoxicity | 85.00 | 0.89 | 0.65 | 92.00 | 78.00 |
| Immunotoxicity | 75.00 | 0.76 | 0.35 | 69.50 | 79.50 |
| Toxicological pathways | |||||
| nr-ahr | 91.00 | 0.89 | 0.80 | 87.00 | 94.00 |
| nr-ar | 93.00 | 0.84 | 0.75 | 89.00 | 97.00 |
| nr-ar-lbd | 89.00 | 0.87 | 0.76 | 79.50 | 97.00 |
| nr-aromatase | 92.00 | 0.86 | 0.79 | 78.00 | 96.00 |
| nr-er | 90.00 | 0.75 | 0.71 | 85.00 | 95.00 |
| nr-er-lbd | 89.00 | 0.85 | 0.73 | 83.00 | 95.00 |
| nr-ppar-gamma | 92.00 | 0.81 | 0.71 | 86.00 | 97.00 |
| sr-are | 91.00 | 0.84 | 0.69 | 85.00 | 97.00 |
| sr-hse | 90.00 | 0.79 | 0.73 | 89.00 | 91.00 |
| sr-mmp | 91.00 | 0.90 | 0.74 | 82.50 | 96.50 |
| sr-p53 | 89.00 | 0.84 | 0.74 | 83.00 | 95.00 |
| sr-atad5 | 89.00 | 0.84 | 0.71 | 81.50 | 96.50 |