search_by_inchi
Find chemical compounds in PubChem by entering an InChI string or InChI key for precise and targeted search results.
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 handler function that executes the 'search_by_inchi' tool logic. It currently returns a placeholder response 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:409-415 (schema)The input schema definition for the 'search_by_inchi' tool, specifying the expected 'inchi' parameter.
inputSchema: { type: 'object', properties: { inchi: { type: 'string', description: 'InChI string or InChI key' }, }, required: ['inchi'], }, - src/index.ts:746-747 (registration)The dispatch registration in the switch statement that routes calls to the 'search_by_inchi' handler method.
case 'search_by_inchi': return await this.handleSearchByInchi(args); - src/index.ts:406-416 (registration)The tool registration object in the tools array passed to the MCP server, defining name, description, and input schema.
{ 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'], }, },