Chembench: A Publicly Accessible, Integrated Cheminformatics Portal

Stephen J. Capuzzi, Ian Sang June Kim, Wai In Lam, Thomas E. Thornton, Eugene N. Muratov, Diane Pozefsky, Alexander Tropsha

Research output: Contribution to journalArticle

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Abstract

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.

LanguageEnglish (US)
Pages105-108
Number of pages4
JournalJournal of Chemical Information and Modeling
Volume57
Issue number2
DOIs
StatePublished - Feb 27 2017

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Computational efficiency
Visualization
Pharmaceutical Preparations
scientific community
visualization
drug
efficiency
science
Genomics

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Computer Science Applications
  • Library and Information Sciences

Cite this

Chembench : A Publicly Accessible, Integrated Cheminformatics Portal. / Capuzzi, Stephen J.; Kim, Ian Sang June; Lam, Wai In; Thornton, Thomas E.; Muratov, Eugene N.; Pozefsky, Diane; Tropsha, Alexander.

In: Journal of Chemical Information and Modeling, Vol. 57, No. 2, 27.02.2017, p. 105-108.

Research output: Contribution to journalArticle

Capuzzi, Stephen J. ; Kim, Ian Sang June ; Lam, Wai In ; Thornton, Thomas E. ; Muratov, Eugene N. ; Pozefsky, Diane ; Tropsha, Alexander. / Chembench : A Publicly Accessible, Integrated Cheminformatics Portal. In: Journal of Chemical Information and Modeling. 2017 ; Vol. 57, No. 2. pp. 105-108
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