Cheminformatics Planning Grant

November 2, 2005

CCGS/School of Pharmacy professor Alex Tropsha was recently awarded a two-year planning grant (P20) from the NIH Roadmap initiative to identify critical cheminformatics needs of the biomedical research community and formulate collaborative strategies to address those needs. This effort will culminate in the generation of preliminary data and collaborative arrangements to support a subsequent application for a large-scale cheminformatics research center (P50). Tropsha’s planning grant was one of six P20 cheminformatics grants that were funded this year (link). The proposal is a collaboration among 12 investigators across 6 different organizations that will be coordinated by the Laboratory of Molecular Modeling and the Cheminformatics Research Resource at UNC-Chapel Hill. They plan to develop multidisciplinary approaches for key cheminformatics issues such as chemical library design, biologically relevant diversity and similarity metrics, virtual screening, ADMETox predictors, and new data-analysis tools. They also plan to build a prototype for an integrated, publicly accessible cheminformatics web portal called ChemBench to support researchers at the NIH-funded Chemical Synthesis Centers and Molecular Libraries Screening Centers Network. In addition to Tropsha, two other CCGS investigators involved in the project are Yufeng Liu (Statistics) and Wei Wang (Computer Science).

Abstract





				November 2, 2005 CCGS/School of Pharmacy professor Alex Tropsha was recently awarded a two-year planning grant (P20) from the NIH Roadmap initiative to identify critical cheminformatics needs of the biomedical research community and formulate collaborative strategies to address those needs. This effort will culminate in the generation of preliminary data and collaborative arrangements to support a subsequent application for a large-scale cheminformatics research center (P50). Tropsha’s planning grant was one of six P20 cheminformatics grants that were funded this year (link). The proposal is a collaboration among 12 investigators across 6 different organizations that will be coordinated by the Laboratory of Molecular Modeling and the Cheminformatics Research Resource at UNC-Chapel Hill. They plan to develop multidisciplinary approaches for key cheminformatics issues such as chemical library design, biologically relevant diversity and similarity metrics, virtual screening, ADMETox predictors, and new data-analysis tools. They also plan to build a prototype for an integrated, publicly accessible cheminformatics web portal called ChemBench to support researchers at the NIH-funded Chemical Synthesis Centers and Molecular Libraries Screening Centers Network. In addition to Tropsha, two other CCGS investigators involved in the project are Yufeng Liu (Statistics) and Wei Wang (Computer Science). Abstract