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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3904764/ https://www.ncbi.nlm.nih.gov/pubmed/24405118 http://dx.doi.org/10.1021/ci400632y |