Predict clinical-trial toxicity (ClinTox)
predict_clintoxPredict clinical-trial toxicity for a compound using IBM MAMMAL. Returns pred 1 (toxic / likely to fail trials) or 0 (not toxic) plus a raw score. Inference is CPU-bound and may take up to ~60s.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| smiles | Yes | Compound structure in SMILES notation. |