Ligand-Based Virtual Screening Approach Using a New Scoring Function
نویسندگان
چکیده
منابع مشابه
StructRank: A New Approach for Ligand-Based Virtual Screening
Screening large libraries of chemical compounds against a biological target, typically a receptor or an enzyme, is a crucial step in the process of drug discovery. Virtual screening (VS) can be seen as a ranking problem which prefers as many actives as possible at the top of the ranking. As a standard, current Quantitative Structure-Activity Relationship (QSAR) models apply regression methods t...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2012
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci200617d