title: Solubility prediction of drugs in mixed solvents using partial solubility parameters.
abstract: Solubility of drugs in binary and ternary solvent mixtures composed of water and pharmaceutical cosolvents at different temperatures were predicted using the Jouyban-Acree model and a combination of partial solubility parameters as interaction descriptors in the solution. The generally trained version of the model produced the overall mean percentage deviation values for the back-calculated solubility of drugs in binary solvents of 34.3% and the predicted solubilities in ternary solvent mixtures of 38.0%. In addition, the applicability of the trained model for predicting the solvent composition providing the maximum solubility of a drug was investigated. The results of collected solubility data of drugs in various mixed solvents and the newly measured solubility data of five drugs in ethanol + propylene glycol + water mixtures at 25°C showed that the model provided acceptable predictions and could be used in the pharmaceutical industry.
authors.affiliation: Pharmaceutical Analysis Lab, Drug Applied Research Center and Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz 51664, Iran. ajouyban@hotmail.com, jouyban@ut.ac.ir.
authors.forename: Abolghasem
authors.initials: A
authors.lastname: Jouyban
authors.forename: Ali
authors.initials: A
authors.lastname: Shayanfar
authors.forename: Vahid
authors.initials: V
authors.lastname: Panahi-Azar
authors.forename: Jafar
authors.initials: J
authors.lastname: Soleymani
authors.forename: Behrooz H
authors.initials: BH
authors.lastname: Yousefi
authors.forename: William E
authors.initials: WE
authors.lastname: Acree
authors.forename: Peter
authors.initials: P
authors.lastname: York
mesh_terms: D002998:Clonazepam / Q000737:chemistry; D003198:Computer Simulation; D003975:Diazepam / Q000737:chemistry; D000431:Ethanol / Q000737:chemistry; D007052:Ibuprofen / Q000737:chemistry; D007700:Kinetics; D000077213:Lamotrigine; D008958:Models, Molecular; D009716:Numerical Analysis, Computer-Assisted; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D010634:Phenobarbital / Q000737:chemistry; D019946:Propylene Glycol / Q000737:chemistry; D012995:Solubility; D012997:Solvents / Q000737:chemistry*; D013678:Technology, Pharmaceutical / Q000379:methods*; D013696:Temperature; D014227:Triazines / Q000737:chemistry; D014867:Water / Q000737:chemistry
chemical_list: D004364:Pharmaceutical Preparations; D012997:Solvents; D014227:Triazines; D014867:Water; D000431:Ethanol; D002998:Clonazepam; D019946:Propylene Glycol; D003975:Diazepam; D000077213:Lamotrigine; D007052:Ibuprofen; D010634:Phenobarbital