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Experimental and Computational Screening Models for Prediction of Aqueous Drug Solubility

✍ Scribed by Christel A. S. Bergström; Ulf Norinder; Kristina Luthman; Per Artursson

Book ID
110327365
Publisher
Springer US
Year
2002
Tongue
English
Weight
156 KB
Volume
19
Category
Article
ISSN
0724-8741

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## Abstract The COSMO‐RS method, originally developed for the prediction of liquid–liquid and liquid–vapor equilibrium constants based on quantum chemical calculations, has been extended to solid compounds by addition of a heuristic expression for the Gibbs free energy of fusion. By this addition,