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

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

Mattia Turchi, Qiong Cai and Guoping Lian
Chemical Engineering Science, Vol.197, pp.150-158
06/04/2019

Abstract

Partition coefficient; Complex formulations; MD simulations; COSMOmic; Octanol-water
url
https://doi.org/10.1016/j.ces.2018.12.003View
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