predict_admet_properties
Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity) for chemical compounds using PubChem CID or SMILES string to assess drug safety and pharmacokinetics.
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 core logic of the 'predict_admet_properties' tool. It currently returns a placeholder response indicating the feature 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:530-537 (schema)Input schema for the 'predict_admet_properties' tool, defining optional parameters: cid (PubChem ID) or smiles string.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:527-538 (registration)Registration of the 'predict_admet_properties' tool in the server's list of available tools, 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)Dispatch/registration case in the main tool handler switch statement that routes calls to the specific handler.case 'predict_admet_properties': return await this.handlePredictAdmetProperties(args);