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COSMO-RS and UNIFAC in Prediction of Micelle/Water Partition Coefficients

✍ Scribed by Mokrushina, Liudmila; Buggert, Matthias; Smirnova, Irina; Arlt, Wolfgang; Schomäcker, Reinhard


Book ID
120969730
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
171 KB
Volume
46
Category
Article
ISSN
0888-5885

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## Abstract In this work, the possibility of the a priori predictive model COSMO‐RS to describe partitioning of pharmaceutically active compounds in the octanol‐water system (__P__~OW~) in the presence of electrolytes is investigated. It is shown that the calculated values of __P__~OW~ depend on th

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## Abstract For the first time the a‐priori prediction method COSMO‐RS is used to predict liquid chromatographic partitioning coefficients. Previous methods are based on several adjustable parameters used to describe physico‐chemical properties of the mobile and stationary phase in the separation s