analyze_molecular_complexity
Calculate molecular complexity and synthetic accessibility scores for chemical compounds using PubChem CID to assess synthesis feasibility and structural intricacy.
Instructions
Analyze molecular complexity and synthetic accessibility
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| cid | Yes | PubChem Compound ID (CID) |
Implementation Reference
- src/index.ts:551-561 (registration)Registration of the 'analyze_molecular_complexity' tool in the ListToolsRequestSchema handler, including name, description, and input schema.
{ name: 'analyze_molecular_complexity', description: 'Analyze molecular complexity and synthetic accessibility', inputSchema: { type: 'object', properties: { cid: { type: ['number', 'string'], description: 'PubChem Compound ID (CID)' }, }, required: ['cid'], }, }, - src/index.ts:774-775 (registration)Dispatch case in the CallToolRequestSchema handler that routes calls to analyze_molecular_complexity to its handler method.
case 'analyze_molecular_complexity': return await this.handleAnalyzeMolecularComplexity(args); - src/index.ts:1117-1119 (handler)The handler function implementing the analyze_molecular_complexity tool. Currently a placeholder that returns a 'not yet implemented' message.
private async handleAnalyzeMolecularComplexity(args: any) { return { content: [{ type: 'text', text: JSON.stringify({ message: 'Molecular complexity analysis not yet implemented', args }, null, 2) }] }; }