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An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application To GPCRs

[Image: see text] Benchmarking data sets have become common in recent years for the purpose of virtual screening, though the main focus had been placed on the structure-based virtual screening (SBVS) approaches. Due to the lack of crystal structures, there is great need for unbiased benchmarking set...

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Detalhes bibliográficos
Main Authors: Xia, Jie, Jin, Hongwei, Liu, Zhenming, Zhang, Liangren, Wang, Xiang Simon
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4038372/
https://ncbi.nlm.nih.gov/pubmed/24749745
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500062f
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