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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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Podrobná bibliografie
Hlavní autoři: Oashi, Taiji, Ringer, Ashley L., Raman, E. Prabhu, MacKerell, Alexander D.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2010
Témata:
On-line přístup: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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