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Ann Pharm Fr ; 81(6): 1109-1117, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-37060940

RESUMO

A new set of solute parameters derived from a correlation model using Catalan parameters. The parameters represent the interaction of the solute with the mono-solvents at 298.15K. The computational procedure was adopted from Abraham's solvation model and the obtained results are promising. In this work, the calculated parameters were used to back-calculate the drugs solubility in various mono-solvents at different temperatures employing the van't Hoff's model as the skeleton on the derived model. The obtained mean percentage deviations (MPDs) were in the range of 3.1 to 88.5% with the overall MPD of 29.1%. (1) Derivation of a new set of solute parameters from a correlation model using Catalan parameters; (2) adoption of the calculation method of Abraham's solvation model with the skeleton of van't Hoff's equation; (3) using the achieved parameters for back-calculation of drugs solubility in various mono-solvents; (4) obtaining an overall acceptable mean percentage deviation of 29.1% from calculations.

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