PubChem as a public resource for drug discovery.
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ABSTRACT:
SUBMITTER: Li Q
PROVIDER: S-EPMC3010383 | biostudies-literature | 2010 Dec
REPOSITORIES: biostudies-literature
Publications
PubChem as a public resource for drug discovery.
Li Qingliang Q Cheng Tiejun T Wang Yanli Y Bryant Stephen H SH
Drug discovery today 20101021 23-24
PubChem is a public repository of small molecules and their biological properties. Currently, it contains more than 25 million unique chemical structures and 90 million bioactivity outcomes associated with several thousand macromolecular targets. To address the potential utility of this public resource for drug discovery, we systematically summarized the protein targets in PubChem by function, 3D structure and biological pathway. Moreover, we analyzed the potency, selectivity and promiscuity of ...[more]
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