title: Chembench: A Publicly Accessible, Integrated Cheminformatics Portal.
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.
authors.affiliation: Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
authors.forename: Stephen J
authors.initials: SJ
authors.lastname: Capuzzi
authors.affiliation: Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
authors.forename: Ian Sang-June
authors.initials: IS
authors.lastname: Kim
authors.affiliation: Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
authors.forename: Wai In
authors.initials: WI
authors.lastname: Lam
authors.affiliation: Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
authors.forename: Thomas E
authors.initials: TE
authors.lastname: Thornton
authors.affiliation: Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
authors.forename: Eugene N
authors.initials: EN
authors.lastname: Muratov
authors.affiliation: Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
authors.forename: Diane
authors.initials: D
authors.lastname: Pozefsky
authors.affiliation: Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, and ‡Department of Computer Science, University of North Carolina , Chapel Hill, North Carolina 27599, United States.
authors.forename: Alexander
authors.identifier: 0000-0003-3802-8896
authors.initials: A
authors.lastname: Tropsha
mesh_terms: D048088:Informatics / Q000379:methods*; D020407:Internet; D011381:Programming Languages; D021281:Quantitative Structure-Activity Relationship; D014584:User-Computer Interface