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In Silico Prediction of Aqueous Solubility: The Solubility Challenge

✍ Scribed by Hewitt, M.; Cronin, M. T. D.; Enoch, S. J.; Madden, J. C.; Roberts, D. W.; Dearden, J. C.

Book ID
120055676
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
329 KB
Volume
49
Category
Article
ISSN
0095-2338

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## Abstract In view of the extreme importance of reliable computational prediction of aqueous drug solubility, we have established a Monte Carlo simulation procedure which appears, in principle, to yield reliable solubilities even for complex drug molecules. A theory based on judicious application