A new correlative model to simulate the solubility of drugs in mono-solvent systems at various temperatures

•Proposing a multiple linear model based on the van’t Hoff equation for mono-solvents.•A combination of Abraham, Hansen and Catalan parameters included in the proposed model.•More accuracy of the combined model compared with model including individual parameters. A simple model is proposed for corre...

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Bibliographic Details
Published in:Journal of molecular liquids 2021-12, Vol.343, p.117587, Article 117587
Main Authors: Jouyban, Abolghasem, Rahimpour, Elaheh, Karimzadeh, Zahra
Format: Article
Language:English
Subjects:
Correlation
Mono-solvents
Pharmaceuticals
Prediction
Solubility
van’t Hoff equation
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Summary:•Proposing a multiple linear model based on the van’t Hoff equation for mono-solvents.•A combination of Abraham, Hansen and Catalan parameters included in the proposed model.•More accuracy of the combined model compared with model including individual parameters. A simple model is proposed for correlating the solubility of a given drug in different mono-solvents at various temperatures. The model is based on the well-known van’t Hoff equation and employs a combination of Abraham, Hansen and Catalan parameters as variables representing the drug-solvent interactions in the solutions. The proposed model correlates the solubility of each drug in different mono-solvents at various temperatures. The accuracy of the model for correlating the data was investigated by calculating the mean percentage deviation of the back-calculated data and the corresponding experimental values. Thirty solubility data sets were collected randomly from the recently published articles. The obtained results are promising and the novel model could be recommended for further investigations.
ISSN:0167-7322
1873-3166
DOI:10.1016/j.molliq.2021.117587