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This database is freely available to the general public via the Internet.
PubChem provides information on the biological activities and properties of over 92 million small molecules. PubChem includes substance information, compound structures, and BioActivity data in three primary databases, Substance, Compound, and BioAssay, respectively.
- Substance contains more than 223 million records.
- Compound contains more than 92 million unique structures.
- BioAssay contains more than 1.2 million bioassays. Each boassay contains a various number of data points.
The databases can be searched by chemical name, Chemical Abstracts Service Registry Number, keywords, and structure. Substance, structure, and bioassay record counts are updated daily. Click on the Today's Statistics drop down menu at the top of the screen. PubChem is an initiative of the National Center for Biotechnology Information (NCBI) of the National Library of Medicine (NLM).
The Substance and Compound databases, where possible, provide links to BioAssay description, literature, references, and assay data points. The BioAssay database also includes links back to the Substance/ and Compound databases. PubChem is integrated with Entrez, NCBI's primary metasearch engine, and also provides compound neighboring, sub/superstructure, similarity structure, Bioactivity data, and other searching features.