Journal
DRUG DISCOVERY TODAY
Volume 16, Issue 9-10, Pages 372-376Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2011.02.011
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Funding
- Deutsche Forschungsgemeinschaft [GRK804]
- Bayer Healthcare AG, Wuppertal
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Virtual screening is a much discussed topic in chemoinformatics and medicinal chemistry, and widely applied in pharmaceutical research. Here, we provide an in-depth analysis of currently available ligand-based virtual screening applications. We formulate several scientific quality criteria for prospective ligand-based virtual screens and analyze, in detail, the information provided by currently available peer-reviewed publications. The results presented herein provide a detailed view of the current state-of-the-art in this field and point at several problematic issues but also opportunities for further advances.
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