PubChem

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About PubChem

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PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries Roadmap Initiative.

Access the Data

http://pubchem.ncbi.nlm.nih.gov/

Contents of the Data

PubChem Compound: Search unique chemical structures using names, synonyms or keywords. Links to available biological property information are provided for each compound.

PubChem Substance: Search deposited chemical substance records using names, synonyms or keywords. Links to biological property information and depositor web sites are provided.

PubChem BioAssay: Search bioassay records using terms from the bioassay description, for example "cancer cell line". Links to active compounds and bioassay results are provided.

Structure Search: Search PubChem's Compound database using a chemical structure as the query. Structures may be sketched or specified by SMILES, InChI, MOL files, or other formats.