PubChem MCP Server

Instructions

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);