PubChem provides information on the biological activities of small molecules. It is a component of NIH's
Molecular Libraries
Roadmap Initiative. If you would like to learn more
about how to use the PubChem resources, please go to our help page.
 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.
 BioAssay Services: BioAssay summary and bioactivity analysis tools.
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PubChem is organized as three linked databases within the NCBI's
Entrez information retrieval system. These are PubChem Substance, PubChem Compound, and PubChem BioAssay.
PubChem also provides a fast chemical structure similarity search
tool. More information about using each component database may be
found using the links above.
Links from PubChem's chemical structure records to other
Entrez databases provide information on biological properties. These include links to
PubMed
scientific literature and NCBI's
protein 3D structure
resource. Links to PubChem's bioassay database present the results of
biological screening. Links to depositor web sites provide further
information.
A PubChem FTP site,
Download
Facility, Power User Gateway(PUG),
Standardization Service,
Score Matrix Service,
Structure Clustering, and
Deposition Gateway are also available.
PubChem provides tips and example code to allow users
to add PubChem search tool (free) in
their sites. A PubChem publication site
provides links to published articles.
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