Simulation of Clozapine Solubility in Mono- and Mixed Solvents at Different Temperatures

The current study validated some trained models for predicting clozapine solubility data in mono- and binary-solvent mixtures. The prediction models were built by combining the van't Hoff and Jouyban–Acree models with various physicochemical characteristics such as Abraham solvation parameters...

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Veröffentlicht in:Journal of solution chemistry 2022-12, Vol.51 (12), p.1540-1570
Hauptverfasser: Rahimpour, Elaheh, Xu, Renjie, Zhao, Hongkun, Acree, William E., Jouyban, Abolghasem
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Sprache:eng
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Zusammenfassung:The current study validated some trained models for predicting clozapine solubility data in mono- and binary-solvent mixtures. The prediction models were built by combining the van't Hoff and Jouyban–Acree models with various physicochemical characteristics such as Abraham solvation parameters and Catalan and Hansen solubility parameters. The overall mean relative deviation and cross-validation analyses were used to assess the models' accuracy and applicability. Validated models can be used to estimate the clozapine solubility in mono-solvents or solvent mixtures at various temperatures.
ISSN:0095-9782
1572-8927
DOI:10.1007/s10953-022-01208-5