Deviations of drug solubility in water-cosolvent mixtures from the Jouyban-Acree model--effect of solute structure.
Deviations of the predicted solubilities using the Jouyban-Acree model from experimental data were correlated to the structural descritptors of the drugs computed by HyperChem software. The proposed models are able to predict the solubility in water-cosolvent mixtures and reduced the mean percentage deviations (MPD) of predicted solubilities from 24%, 48%, and 53% to 16%, 33% and 38%, respectively for water-propylene glycol, water-ethanol and water-polyethylene glycol 400 mixtures, with the overall improvement in prediction capability of the model being approximately 13%.
Jouyban
A
A
Faculty of Pharmacy and Drug Applied Research Center, Tabriz University of Medical Sciences, Tabriz, Iran. ajouyban@hotmail.com
Fakhree
M A A
MA
Ghafourian
T
T
Saei
A A
AA
Acree
W E
WE
D000465:Algorithms; D002626:Chemistry, Pharmaceutical / Q000706:statistics & numerical data*; D003198:Computer Simulation; D003627:Data Interpretation, Statistical; D000431:Ethanol; D008956:Models, Chemical; D015233:Models, Statistical; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D011092:Polyethylene Glycols; D012984:Software; D012995:Solubility; D012997:Solvents; D014867:Water
D004364:Pharmaceutical Preparations; D012997:Solvents; D014867:Water; D000431:Ethanol; D011092:Polyethylene Glycols