Nucleic Acids Research Advance Access originally published online on June 4, 2009
Nucleic Acids Research 2009 37(Web Server issue):W623-W633; doi:10.1093/nar/gkp456
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Nucleic Acids Research, 2009, Vol. 37, No. suppl_2 W623-W633
© 2009 The Author(s)
This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.0/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
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PubChem: a public information system for analyzing bioactivities of small molecules
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, 20894, USA
*To whom correspondence should be addressed. Tel: +1 301 435 7792; Fax: +1 301 480 9241; Email: bryant{at}ncbi.nlm.nih.gov
Received March 24, 2009. Revised May 12, 2009. Accepted May 14, 2009.
PubChem (http://pubchem.ncbi.nlm.nih.gov) is a public repository for biological properties of small molecules hosted by the US National Institutes of Health (NIH). PubChem BioAssay database currently contains biological test results for more than 700 000 compounds. The goal of PubChem is to make this information easily accessible to biomedical researchers. In this work, we present a set of web servers to facilitate and optimize the utility of biological activity information within PubChem. These web-based services provide tools for rapid data retrieval, integration and comparison of biological screening results, exploratory structure–activity analysis, and target selectivity examination. This article reviews these bioactivity analysis tools and discusses their uses. Most of the tools described in this work can be directly accessed at http://pubchem.ncbi.nlm.nih.gov/assay/. URLs for accessing other tools described in this work are specified individually.
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