Toxicity prediction (hERG / DILI) / 毒性预测(hERG/DILI)
toxicity_predictToxicity prediction (hERG / DILI) / 毒性预测(hERG/DILI) | USE WHEN: cardiac (hERG) and liver (DILI) toxicity risk from a SMILES string | ALIASES: 毒性预测, hERG, DILI, 心脏毒性, 肝毒性, toxicity, SMILES | RETURNS: 毒性风险分级
Tool call template
Replace each placeholder with a value matching the input schema. Only required parameters are included; add optional parameters as needed.
{
"id": 1,
"jsonrpc": "2.0",
"method": "tools/call",
"params": {
"arguments": {
"smiles": "<smiles>"
},
"name": "toxicity_predict"
}
}Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| smiles | Yes | 化合物 SMILES | |
| endpoints | No | 终点:hERG/DILI/Ames |