Solubility prediction of drugs in mixed solvents using partial solubility parameters.
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.
['Jouyban|Abolghasem|A|', 'Shayanfar|Ali|A|', 'Panahi-Azar|Vahid|V|', 'Soleymani|Jafar|J|', 'Yousefi|Behrooz H|BH|', 'Acree|William E|WE|', 'York|Peter|P|']
D002998:Clonazepam D003198:Computer Simulation D003975:Diazepam D000431:Ethanol D007052:Ibuprofen D007700:Kinetics D000077213:Lamotrigine D008958:Models, Molecular D009716:Numerical Analysis, Computer-Assisted D004364:Pharmaceutical Preparations D010634:Phenobarbital D019946:Propylene Glycol D012995:Solubility D012997:Solvents D013678:Technology, Pharmaceutical D013696:Temperature D014227:Triazines D014867:Water
solubility prediction Jouyban-Acree model QSPR in silico modelling mathematical modelling physicochemical properties