predict_admet_properties
Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity) for chemical compounds using PubChem CID or SMILES string to assess drug safety and pharmacokinetics.
Instructions
Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity)
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| cid | No | PubChem Compound ID (CID) | |
| smiles | No | SMILES string (alternative to CID) |
Input Schema (JSON Schema)
{
"properties": {
"cid": {
"description": "PubChem Compound ID (CID)",
"type": [
"number",
"string"
]
},
"smiles": {
"description": "SMILES string (alternative to CID)",
"type": "string"
}
},
"required": [],
"type": "object"
}