assess_drug_likeness
Evaluate chemical compounds for drug-like properties using Lipinski Rule of Five, Veber rules, and PAINS filters to identify promising candidates for pharmaceutical development.
Instructions
Assess drug-likeness using Lipinski Rule of Five, Veber rules, and PAINS filters
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"
}