predict_admet_properties
Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity) for chemical compounds using PubChem data 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. It currently returns a placeholder message indicating that 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 (registration)Registration of the 'predict_admet_properties' tool in the ListToolsRequestSchema response, including the tool name, description, and input schema definition.
{ 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:530-537 (schema)Input schema definition for the 'predict_admet_properties' tool, specifying optional cid or smiles inputs.
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 (handler)Dispatcher case in the main CallToolRequestSchema handler that routes to the specific tool handler.
case 'predict_admet_properties': return await this.handlePredictAdmetProperties(args);