predict_admet_properties
Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity) for chemical compounds using PubChem CID or SMILES string to evaluate drug-likeness and safety.
Instructions
Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity)
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:1109-1111 (handler)The handler function that executes the predict_admet_properties tool. Currently implemented as a placeholder returning a 'not yet implemented' message.
private async handlePredictAdmetProperties(args: any) { return { content: [{ type: 'text', text: JSON.stringify({ message: 'ADMET prediction not yet implemented', args }, null, 2) }] }; } - src/index.ts:528-538 (schema)Input schema definition for the predict_admet_properties tool, including optional cid or smiles parameters.
name: 'predict_admet_properties', description: 'Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity)', 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:770-771 (registration)Registration and dispatch case in the CallToolRequestSchema handler that routes calls to the predict_admet_properties handler.
case 'predict_admet_properties': return await this.handlePredictAdmetProperties(args);