Table 2. External 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 | 86.00 | 0.91 | 0.66 | 81.00 | 90.00 |
| Toxicity endpoints | |||||
| Mutagenicity | 85.00 | 0.91 | 0.71 | 83.00 | 87.00 |
| Carcinogenicity | 83.30 | 0.87 | 0.65 | 79.00 | 78.00 |
| Cytotoxicity | 83.60 | 0.90 | 0.60 | 93.00 | 74.00 |
| Immunotoxicity | 70.00 | 0.74 | 0.29 | 65.00 | 74.00 |
| Toxicological pathways | |||||
| nr-ahr | 91.00 | 0.90 | 0.75 | 74.00 | 97.00 |
| nr-ar | 86.00 | 0.73 | 0.73 | 81.00 | 91.00 |
| nr-ar-lbd | 83.00 | 0.75 | 0.72 | 76.00 | 90.00 |
| nr-aromatase | 89.00 | 0.75 | 0.79 | 79.00 | 97.00 |
| nr-er | 91.00 | 0.79 | 0.71 | 85.50 | 96.50 |
| nr-er-lbd | 89.00 | 0.80 | 0.75 | 79.50 | 97.50 |
| nr-ppar-gamma | 85.00 | 0.84 | 0.73 | 73.00 | 96.00 |
| sr-are | 87.00 | 0.79 | 0.72 | 73.00 | 97.00 |
| sr-hse | 86.00 | 0.87 | 0.75 | 80.00 | 92.00 |
| sr-mmp | 91.00 | 0.92 | 0.78 | 86.00 | 95.00 |
| sr-p53 | 89.00 | 0.87 | 0.79 | 80.50 | 96.00 |
| sr-atad5 | 84.00 | 0.80 | 0.78 | 73.00 | 95.00 |