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Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening

[Image: see text] Analyzing the chemical space coverage in commercial fragment screening collections revealed the overlap between bioactive medicinal chemistry substructures and rule-of-three compliant fragments is only ∼25%. We recommend including these fragments in fragment screening libraries to...

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Detalhes bibliográficos
Main Authors: Mok, N. Yi, Brenk, Ruth, Brown, Nathan
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3904764/
https://ncbi.nlm.nih.gov/pubmed/24405118
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400632y
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