predict_admet_properties
Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity) for chemical compounds using PubChem CID or SMILES string to assess drug viability 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 main handler function for the 'predict_admet_properties' tool. Currently implemented as a placeholder that returns a message indicating ADMET prediction is not yet implemented.
private async handlePredictAdmetProperties(args: any) { return { content: [{ type: 'text', text: JSON.stringify({ message: 'ADMET prediction not yet implemented', args }, null, 2) }] }; } - src/index.ts:527-538 (schema)The tool registration entry including name, description, and input schema definition returned in ListToolsRequestSchema.
{ 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)Dispatch case in the CallToolRequestSchema handler that routes calls to the tool handler.
case 'predict_admet_properties': return await this.handlePredictAdmetProperties(args);