io.github.cyanheads/pubchem-mcp-server
io.github.cyanheads/pubchem-mcp-serverSearch PubChem compounds, properties, safety data, bioactivity, and cross-references.
Tools · 8
Search PubChem for chemical compounds by identifier (name, SMILES, or InChIKey, batched up to 25), molecular formula in Hill notation, substructure or superstructure containment, or 2D Tanimoto simila…
Get detailed compound information by CID. Returns physicochemical properties (molecular weight, SMILES, InChIKey, XLogP, TPSA, etc.), optionally with a textual description (pharmacology, mechanism, th…
Fetch a 2D structure diagram (PNG image) for a compound by CID.
Get external database cross-references for a compound: PubMed citations, patent IDs, gene/protein associations, registry numbers, and taxonomy IDs. Results are capped per type with total counts report…
Get GHS (Globally Harmonized System) hazard classification and safety data for a compound. Returns signal word, pictograms, hazard statements (H-codes), and precautionary statements (P-codes). Data so…
Get a compound's bioactivity profile: which assays tested it, activity outcomes (Active/Inactive/Inconclusive), target identifiers (NCBI Gene ID, UniProt/GenBank accession), and quantitative values (I…
Find PubChem bioassays associated with a biological target. Search by gene symbol (e.g. "EGFR"), protein name, NCBI Gene ID, or UniProt accession. Returns assay IDs (AIDs) which can be explored furthe…
Get descriptive summaries for PubChem entities by ID. Supports assays (AID), genes (Gene ID), proteins (UniProt accession), and taxonomy (Tax ID). Up to 10 per call.
How to use
Add to your Claude Desktop / Cursor / Cline MCP config:
{
"mcpServers": {
"io.github.cyanheads/pubchem-mcp-server": {
"url": "https://pubchem.caseyjhand.com/mcp",
"transport": "streamable-http"
}
}
}