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Improving structural similarity based virtual screening using background knowledge

BACKGROUND: Virtual screening in the form of similarity rankings is often applied in the early drug discovery process to rank and prioritize compounds from a database. This similarity ranking can be achieved with structural similarity measures. However, their general nature can lead to insufficient...

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Detalhes bibliográficos
Main Authors: Girschick, Tobias, Puchbauer, Lucia, Kramer, Stefan
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3928642/
https://ncbi.nlm.nih.gov/pubmed/24341870
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-5-50
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