PubChem MCP Server

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Provides comprehensive access to PubChem's chemical information database via the PubChem PUG REST API.

Tools · 8

pubchem_search_compounds Search for compounds by name, SMILES, InChIKey, formula, substructure, superstructure, or 2D similarity.
pubchem_get_compound_details Get physicochemical properties, descriptions, synonyms, drug-likeness, and classification for compounds by CID.
pubchem_get_compound_image Fetch a 2D structure diagram (PNG) for a compound by CID.
pubchem_get_compound_safety Get GHS hazard classification and safety data for a compound.
pubchem_get_compound_xrefs Get external database cross-references (PubMed, patents, genes, proteins, etc.).
pubchem_get_bioactivity Get a compound's bioactivity profile: assay results, targets, and activity values.
pubchem_search_assays Find bioassays by biological target (gene symbol, protein, Gene ID, UniProt accession).
pubchem_get_summary Get summaries for PubChem entities: assays, genes, proteins, taxonomy.

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