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Automated selection of compounds with physicochemical properties to maximize bioavailability and druglikeness

Adequate bioavailability is one of the essential properties for an orally administered drug. Lipinski and others have formulated simplified rules in which compounds that satisfy selected physiochemical properties, for example, molecular weight (MW)≤500, or logarithm of octanol-water partition coeffi...

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Detalhes bibliográficos
Main Authors: Oashi, Taiji, Ringer, Ashley L., Raman, E. Prabhu, MacKerell, Alexander D.
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3160130/
https://ncbi.nlm.nih.gov/pubmed/21142079
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100359a
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