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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 standa...

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Bibliographic Details
Main Authors: Rathke, Fabian (Author) , Hansen, Katja (Author) , Brefeld, Ulf (Author) , Müller, Klaus-Robert (Author)
Format: Article (Journal)
Language:English
Published: 2011
In: Journal of chemical information and modeling
Year: 2011, Volume: 51, Issue: 1, Pages: 83-92
ISSN:1549-960X
DOI:10.1021/ci100308f
Online Access:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1021/ci100308f
Verlag, PURE Lüneburg: http://fox.leuphana.de/portal/de/publications/structrank(47ad8a63-e998-4cb2-a744-9aed3adadbb2).html
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Author Notes:Fabian Rathke, Katja Hansen, Ulf Brefeld, and Klaus-Robert Müller

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