PubChem: An information resource linking chemistry and biology

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Stephen Bryant, bryant@ncbi.nlm.nih.gov, National library of medicine, National Center for Biotechnology Information, Bldg. 38A, Room 5S504, 8600 Rockville Pike, Bethesda, MD 20894
PubChem is an online public information resource from the National Center for Biotechnology Information (NCBI). The system provides information on the biological properties and activities of chemical substances, linking together results from different sources on the basis of chemical structure and/or chemical structure similarity. Following the deposition model introduced by GenBank, PubChem's content is derived from user depositions of chemical structure and bioassay data, including high-throughput biological screening data from National Institutes of Health's Molecular Libraries initiative. PubChem's retrieval system supports searches based on chemical names and chemical structure, as well as searches based on bioassay descriptions and activity criteria. PubChem provides further information on biological properties via links to other NCBI information resources, such as the PubMed biomedical literature database and NCBI's protein 3D structure database, as well as via links to depositor web sites.