predict_admet_properties
Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity) using a PubChem CID or SMILES string for informed chemical compound analysis and drug development.
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:527-538 (registration)Registration of the 'predict_admet_properties' tool in the tools array passed to server.setTools(), including name, description, and input schema.{ 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)Switch case in the request handler that dispatches calls to 'predict_admet_properties' to the specific handler method.case 'predict_admet_properties': return await this.handlePredictAdmetProperties(args);
- src/index.ts:1109-1111 (handler)The handler function for executing the 'predict_admet_properties' tool. Currently a placeholder that returns a message indicating it 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) }] }; }