assess_drug_likeness
Evaluate drug-likeness of chemical compounds using Lipinski's Rule of Five, Veber rules, and PAINS filters by inputting PubChem CID or SMILES string.
Instructions
Assess drug-likeness using Lipinski Rule of Five, Veber rules, and PAINS filters
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| cid | No | PubChem Compound ID (CID) | |
| smiles | No | SMILES string (alternative to CID) |
Implementation Reference
- src/index.ts:1113-1115 (handler)Handler function that executes the assess_drug_likeness tool logic. Currently returns a placeholder message indicating implementation is pending.private async handleAssessDrugLikeness(args: any) { return { content: [{ type: 'text', text: JSON.stringify({ message: 'Drug-likeness assessment not yet implemented', args }, null, 2) }] }; }
- src/index.ts:539-550 (schema)Tool registration entry including name, description, and input schema definition for assess_drug_likeness.{ name: 'assess_drug_likeness', description: 'Assess drug-likeness using Lipinski Rule of Five, Veber rules, and PAINS filters', inputSchema: { type: 'object', properties: { cid: { type: ['number', 'string'], description: 'PubChem Compound ID (CID)' }, smiles: { type: 'string', description: 'SMILES string (alternative to CID)' }, }, required: [], }, },
- src/index.ts:772-773 (registration)Dispatch case in the tool handler switch statement that routes calls to the assess_drug_likeness handler.case 'assess_drug_likeness': return await this.handleAssessDrugLikeness(args);