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Multiple search methods for similarity-based virtual screening: analysis of search overlap and precision

BACKGROUND: Data fusion methods are widely used in virtual screening, and make the implicit assumption that the more often a molecule is retrieved in multiple similarity searches, the more likely it is to be active. This paper tests the correctness of this assumption. RESULTS: Sets of 25 searches us...

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Auteurs principaux: Holliday, John D, Kanoulas, Evangelos, Malim, Nurul, Willett, Peter
Format: Artigo
Langue:Inglês
Publié: BioMed Central 2011
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3195112/
https://ncbi.nlm.nih.gov/pubmed/21824430
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-3-29
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