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High-throughput hydrogen bond strength calculation and its applications in optimizing drug ADME properties

Jie Shen1,2, Ying Yang1,3, Howard Broughton4

  • 1Computational ADME, Drug Disposition, Eli Lilly & Company, Indianapolis, IN 46285, USA.

Future Medicinal Chemistry
|March 21, 2019
PubMed
Abstract

Keywords:
ADMEP-gp effluxhigh throughputhydrogen bond strengthmatched molecular pairmembrane permeabilityphysicochemical properties

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