Chembench: A Publicly Accessible, Integrated Cheminformatics Portal

The enormous increase in the amount of publicly available chemical genomics data and the growing emphasis on data sharing and open science mandates that cheminformaticians also make their models publicly available for broad use by the scientific community. Chembench is one of the first publicly acce...

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Veröffentlicht in:Journal of chemical information and modeling 2017-02, Vol.57 (2), p.105-108
Hauptverfasser: Capuzzi, Stephen J, Kim, Ian Sang-June, Lam, Wai In, Thornton, Thomas E, Muratov, Eugene N, Pozefsky, Diane, Tropsha, Alexander
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Sprache:eng
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Zusammenfassung:The enormous increase in the amount of publicly available chemical genomics data and the growing emphasis on data sharing and open science mandates that cheminformaticians also make their models publicly available for broad use by the scientific community. Chembench is one of the first publicly accessible, integrated cheminformatics Web portals. It has been extensively used by researchers from different fields for curation, visualization, analysis, and modeling of chemogenomics data. Since its launch in 2008, Chembench has been accessed more than 1 million times by more than 5000 users from a total of 98 countries. We report on the recent updates and improvements that increase the simplicity of use, computational efficiency, accuracy, and accessibility of a broad range of tools and services for computer-assisted drug design and computational toxicology available on Chembench. Chembench remains freely accessible at https://chembench.mml.unc.edu
ISSN:1549-9596
1549-960X
DOI:10.1021/acs.jcim.6b00462