Table 3.
Predictions of the toxicological properties of structures investigated.
| Structures | Toxicity Prediction Alert (Lhasa Prediction) | Toxicophoric Group | Toxicity Alert | Toxicity Prediction (Custom Prediction) |
|---|---|---|---|---|
| Indometacin | - | - | - | Nothing to declare |
| Refecoxib | Hepatotoxicity in human, mouse and rat | Furan | PLAUSIBLE | Nothing to declare |
| Phenylbutazone (1) | Hepatotoxicity in human and mouse | 1,2-Diphenyl-3,5-pyrazolidinedione derivative | CERTAIN | Nothing to declare |
| Hepatotoxicity in rat | 1,2-Diphenyl-3,5-pyrazolidinedione derivative | PROBABLE | ||
| Skin sensitization in human, mouse and rat | Hydrazine or precursor | PLAUSIBLE | ||
| 7 | Hepatotoxicity in human, mouse and rat | 1,2-Diphenyl-3,5-pyrazolidinedione derivative | PLAUSIBLE | Nothing to declare |
| Skin sensitization in human, mouse and rat | Hydrazine or precursor | PLAUSIBLE | ||
| 8 | Skin sensitization in human, mouse and rat | Hydrazine or precursor | PLAUSIBLE | Nothing to declare |
| 13 | Skin sensitization in human, mouse and rat | Hydrazine or precursor | PLAUSIBLE | Nothing to declare |
| 14 | Skin sensitization in human, mouse and rat | Hydrazine or precursor | PLAUSIBLE | Nothing to declare |
| 15 | Skin sensitization in human, mouse and rat | Hydrazine or precursor | PLAUSIBLE | Nothing to declare |