An evaluation of in-silico methods for predicting solute partition in multiphase complex fluids – A case study of octanol/water partition coefficient

Published 2018 View Full Article

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Title
An evaluation of in-silico methods for predicting solute partition in multiphase complex fluids – A case study of octanol/water partition coefficient
Authors
Keywords
Partition coefficient, Complex formulations, MD simulations, COSMOmic, Octanol-water
Journal
CHEMICAL ENGINEERING SCIENCE
Volume 197, Issue -, Pages 150-158
Publisher
Elsevier BV
Online
2018-12-08
DOI
10.1016/j.ces.2018.12.003

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