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Deviations of drug solubility in water-cosolvent mixtures from the Jouyban-Acree model – effect of solute structure

Authors: A, Jouyban; M A A, Fakhree; T, Ghafourian; A A, Saei; W E, Acree;

Deviations of drug solubility in water-cosolvent mixtures from the Jouyban-Acree model – effect of solute structure

Abstract

Deviations of the predicted solubilities using the Jouyban-Acree model from experimental data were correlated to the structural descritptors of the drugs computed by HyperChem® software. The proposed models are able to predict the solubility in water-cosolvent mixtures and reduced the mean percentage deviations (MPD) of predicted solubilities from 24%, 48%, and 53% to 16%, 33% and 38%, respectively for water-propylene glycol, water-ethanol and water-polyethylene glycol 400 mixtures, with the overall improvement in prediction capability of the model being ∼13%.

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Keywords

Models, Statistical, Ethanol, Chemistry, Pharmaceutical, Water, Polyethylene Glycols, Models, Chemical, Pharmaceutical Preparations, Solubility, Data Interpretation, Statistical, Solvents, Computer Simulation, Algorithms, Software

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Average
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