PubChem MCP Server
Search 116M+ chemical compounds with molecular properties, SMILES notation, formulas, and drug-like properties from the world's largest free chemistry database.
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PubChem MCP Server : voyez votre AI Agent en action
Capacités intégrées (3)
get_pubchem_compound
Get full chemical data for a PubChem compound by CID
search_pubchem
Returns molecular formula, weight, SMILES, InChI, XLogP, hydrogen bond donors/acceptors, and complexity. Try: aspirin, caffeine, glucose, penicillin, dopamine. Search PubChem for chemical compounds by name
search_pubchem_formula
g. C9H8O4, C8H10N4O2, H2O) and find matching compounds. Find compounds by molecular formula
Ce que ce connecteur débloque
Connect your AI agent to PubChem — the world's largest open chemistry database, maintained by the National Center for Biotechnology Information (NCBI/NIH).
What you can do
- Compound Search — Find chemical compounds by common name (aspirin, caffeine, glucose), IUPAC name, or CAS number across 116M+ indexed compounds
- CID Lookup — Get comprehensive molecular data for any compound by its PubChem Compound ID including formula, weight, SMILES, InChI, and physicochemical properties
- Formula Search — Find all compounds matching a specific molecular formula (e.g., C9H8O4 for aspirin)
How it works
1. Subscribe to this server
2. Start searching compounds immediately — no API key required
Who is this for?
- Medicinal Chemists — quickly retrieve molecular properties and drug-like characteristics for lead compounds
- Pharmacy Students — look up drug structures, formulas, and physicochemical data during coursework
- Biochemistry Researchers — identify compounds by formula and explore metabolite databases
Questions fréquemment posées
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