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PubChem MCP Server

by Augmented-Nature
GitHub
JavaScript
MIT License
20
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search_by_smiles

Find exact chemical compound matches using SMILES strings from PubChem's extensive database. Ideal for structure-based searches in chemical research and analysis.

Instructions

Search for compounds by SMILES string (exact match)

Input Schema

NameRequiredDescriptionDefault
smilesYesSMILES string of the query molecule

Input Schema (JSON Schema)

{ "properties": { "smiles": { "description": "SMILES string of the query molecule", "type": "string" } }, "required": [ "smiles" ], "type": "object" }
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