Drug Solubility Correlation Using the Jouyban-Acree Model: Effects of Concentration Units and Error Criteria

Overview

Journal Molecules

Publisher MDPI

Specialty Biology

Date 2022 Mar 26

PMID 35335360

Authors

Elaheh Rahimpour

Sima Alvani-Alamdari

William E Acree Jr

Abolghasem Jouyban

Affiliations

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Abstract

An important factor affecting the model accuracy is the unit expression type for solute and solvent concentrations. One can report the solute and solvent concentration in various units and compare them with various error scales. In order to investigate the unit and error scale expression effects on the accuracy of the Jouyban-Acree model, in the current study, seventy-nine solubility data sets were collected randomly from the published articles and solute and solvent concentrations in the investigated systems were expressed in various units. Mass fraction, mole fraction, and volume fraction were the employed concentration units for the solvent compositions, and mole fraction, molar, and gram/liter were the investigated concentration units for the solutes. The solubility data, with various solute/solvent concentration units, were correlated using the Jouyban-Acree model, and the accuracy of each model for correlating the data was investigated by calculating different error scales and discussed.

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