PubMed | Entrez | Structure | PubChem | Help

PubChem Text Search


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.
Structures from Vanderbilt University Medical Center are now available in PubChem.

BioAssay data, Kinase Inhibitor Selectivity Profiling Assay, from Ambit Biosciences are now available in PubChem.

The PubChem Score Matrix Service, through which one can download similarity scores for selected lists of CIDs, is now released.

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, MOL files, or other formats.
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, and Deposition Gateway are also available.

Furthermore, PubChem provides tips and example code to allow users to add PubChem search tool (free) in their sites.


 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility