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• W2116976305 abstract "Abstract Motivation: Advances in the field of cheminformatics have been hindered by a lack of freely available tools. We have created Chembench, a publicly available cheminformatics portal for analyzing experimental chemical structure–activity data. Chembench provides a broad range of tools for data visualization and embeds a rigorous workflow for creating and validating predictive Quantitative Structure–Activity Relationship models and using them for virtual screening of chemical libraries to prioritize the compound selection for drug discovery and/or chemical safety assessment. Availability: Freely accessible at: http://chembench.mml.unc.edu Contact: alex_tropsha@unc.edu" @default.
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• W2116976305 date "2010-09-30" @default.
• W2116976305 modified "2023-10-10" @default.
• W2116976305 title "Chembench: a cheminformatics workbench" @default.
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• W2116976305 doi "https://doi.org/10.1093/bioinformatics/btq556" @default.
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