ACCELERATING CHEMICAL GENOMICS RESEARCH BY CHEMINFORMATICS

The Carolina Cheminformatics Workbench (C-ChemBench) is an integrated toolkit developed by the Carolina Exploratory Center for Cheminformatics Research (CECCR) with the support of the National Institutes of Health.

It provides cheminformatics research support to molecular modelers, experimental chemists in the Chemical Synthesis Centers and quantitative biologists in the Molecular Libraries Screening Centers Network (MLSCN) by integrating robust model builders, property and activity predictors, virtual library of available chemicals with predicted biological and drug-like properties, and special tools for chemical library design.

The Workbench is intended in part as a data analytical extension of the PubChem. C-ChemBench enables researchers to mine available chemical and biological data to rationally design or select new compounds or compound libraries with significantly enhanced hit rates in screening experiments.

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