In silico prediction of drug solubility in water-dioxane mixtures using the Jouyban-Acree model.
A numerical method based on the Jouyban-Acree model was presented for prediction of drug solubility in water-dioxane mixtures at various temperatures. The method requires drug solubility in monosolvent systems, i.e. two data points for each temperature of interest. The mean percentage deviation (MPD) of predicted solubilities was calculated to show the accuracy of the predicted data and 27% was found as the average MPD for 36 data sets studied. The proposed numerical method reduced the number of required experimental data from five to two points and could also be extended to predict solubility at various temperatures.
Jouyban
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Faculty of Pharmacy and Drug Applied Research Center, Tabriz University of Medical Sciences, Tabriz, Iran. ajouyban@hotmail.com
D000465:Algorithms; D002626:Chemistry, Pharmaceutical; D003198:Computer Simulation; D004146:Dioxanes; D008956:Models, Chemical; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D011237:Predictive Value of Tests; D012995:Solubility; D012997:Solvents; D013696:Temperature; D014867:Water
D004146:Dioxanes; D004364:Pharmaceutical Preparations; D012997:Solvents; D014867:Water