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
## 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