search_by_inchi
Find chemical compounds in PubChem using InChI or InChI key identifiers to retrieve molecular data and properties.
Instructions
Search for compounds by InChI or InChI key
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| inchi | Yes | InChI string or InChI key |
Implementation Reference
- src/index.ts:950-952 (handler)The main execution handler for the 'search_by_inchi' tool. This is a placeholder implementation that returns a message indicating the feature is not yet implemented.
private async handleSearchByInchi(args: any) { return { content: [{ type: 'text', text: JSON.stringify({ message: 'InChI search not yet implemented', args }, null, 2) }] }; } - src/index.ts:406-416 (registration)Tool registration in the listTools response, defining the name, description, and input JSON schema for validation.
{ name: 'search_by_inchi', description: 'Search for compounds by InChI or InChI key', inputSchema: { type: 'object', properties: { inchi: { type: 'string', description: 'InChI string or InChI key' }, }, required: ['inchi'], }, }, - src/index.ts:746-747 (helper)Switch case in the CallToolRequest handler that dispatches to the specific tool handler.
case 'search_by_inchi': return await this.handleSearchByInchi(args);