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Annual Reports in
Computational Chemistry
Volume 4

PubChem: Integrated Platform of Small Molecules and Biological Activities

Evan E. Bolton1, Yanli Wang1, Paul A. Thiessen1, Stephen H. Bryant1 *
* Corresponding Author: bryant@ncbi.nlm.nih.gov

1 National Center for Biotechnology Information
National Library of Medicine
National Institutes of Health
Department of Health and Human Services
8600 Rockville Pike
Bethesda, MD 20894, USA



ABSTRACT

PubChem is an open repository for experimental data identifying the biological activities of small molecules. PubChem contents include more than: 1,000 bioassays, 28 million bioassay test outcomes, 40 million substance contributed descriptions, and 19 million unique compound structures contributed from over 70 depositing organizations. PubChem provides a significant, publicly accessible platform for mining the biological information of small molecules.

Keywords: Database, repository, chemical structures, assay, biological activity, web-based tools, PubChem



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