cyanheads/pubchem-mcp-server
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The PubChem MCP Server is a Model Context Protocol server that provides seamless integration with PubChem's chemical information database, enabling AI agents and scientific tools to access and analyze chemical data efficiently.
Tools
Functions exposed to the LLM to take actions
pubchem_search_compound_by_identifier
Searches for PubChem Compound IDs (CIDs) using a common chemical identifier.
pubchem_fetch_compound_properties
Fetches a list of specified physicochemical properties for one or more CIDs.
pubchem_get_compound_image
Fetches a 2D image of a compound's structure for a given CID.
pubchem_search_compounds_by_structure
Performs a structural search using a SMILES string or a CID as the query.
pubchem_search_compounds_by_similarity
Finds compounds with a similar 2D structure to a query compound.
pubchem_search_compounds_by_formula
Finds PubChem Compound IDs (CIDs) that match a given molecular formula.
pubchem_fetch_substance_details
Retrieves details for a given PubChem Substance ID (SID).
pubchem_fetch_assay_summary
Fetches a detailed summary for a specific PubChem BioAssay ID (AID).
pubchem_search_assays_by_target
Finds PubChem BioAssay IDs (AIDs) associated with a specific biological target.
pubchem_fetch_compound_xrefs
Fetches external cross-references (XRefs) for a given CID.
Prompts
Interactive templates invoked by user choice
No prompts
Resources
Contextual data attached and managed by the client