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Back to the Future: Can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?

It is widely recognized that ADMET (Adsorption, Distribution, Metabolism, Excretion - Toxicology) liabilities kill the majority of drug candidates that progress to clinical trials. The development of computational models to predict small molecule membrane permeability is therefore of considerable sc...

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Autori principali: Swift, Robert V., Amaro, Rommie E.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2013
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3527668/
https://ncbi.nlm.nih.gov/pubmed/23066853
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/cbdd.12074
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