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

A. Jouyban; M. A.A. Fakhree; T. Ghafourian; A. A. Saei; W. E. Acree

doi:10.1691/ph.2008.7670

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

A. Jouyban
, M. A.A. Fakhree
, T. Ghafourian
, A. A. Saei
, W. E. Acree

Research output: Contribution to journal › Article › peer-review

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%.

Original language	English
Pages (from-to)	113-121
Number of pages	9
Journal	Pharmazie
Volume	63
Issue number	2
DOIs	https://doi.org/10.1691/ph.2008.7670
State	Published - Feb 2008
Externally published	Yes

ASJC Scopus Subject Areas

Pharmaceutical Science

Keywords

Algorithms
Chemistry, Pharmaceutical/statistics & numerical data
Computer Simulation
Data Interpretation, Statistical
Ethanol
Models, Chemical
Models, Statistical
Pharmaceutical Preparations/chemistry
Polyethylene Glycols
Software
Solubility
Solvents
Water

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10.1691/ph.2008.7670

Cite this

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title = "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{\textregistered} 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\%. ",

keywords = "Algorithms, Chemistry, Pharmaceutical/statistics \& numerical data, Computer Simulation, Data Interpretation, Statistical, Ethanol, Models, Chemical, Models, Statistical, Pharmaceutical Preparations/chemistry, Polyethylene Glycols, Software, Solubility, Solvents, Water",

author = "A. Jouyban and Fakhree, \{M. A.A.\} and T. Ghafourian and Saei, \{A. A.\} and Acree, \{W. E.\}",

year = "2008",

month = feb,

doi = "10.1691/ph.2008.7670",

language = "English",

volume = "63",

pages = "113--121",

journal = "Pharmazie",

issn = "0031-7144",

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T1 - Deviations of drug solubility in water-cosolvent mixtures from the Jouyban-Acree model - Effect of solute structure

AU - Jouyban, A.

AU - Fakhree, M. A.A.

AU - Ghafourian, T.

AU - Saei, A. A.

AU - Acree, W. E.

PY - 2008/2

Y1 - 2008/2

N2 - 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%.

AB - 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%.

KW - Algorithms

KW - Chemistry, Pharmaceutical/statistics & numerical data

KW - Computer Simulation

KW - Data Interpretation, Statistical

KW - Ethanol

KW - Models, Chemical

KW - Models, Statistical

KW - Pharmaceutical Preparations/chemistry

KW - Polyethylene Glycols

KW - Software

KW - Solubility

KW - Solvents

KW - Water

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UR - https://www.scopus.com/pages/publications/39449139614#tab=citedBy

U2 - 10.1691/ph.2008.7670

DO - 10.1691/ph.2008.7670

M3 - Article

C2 - 18380397

AN - SCOPUS:39449139614

SN - 0031-7144

VL - 63

SP - 113

EP - 121

JO - Pharmazie

JF - Pharmazie

IS - 2

ER -

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

Abstract

ASJC Scopus Subject Areas

Keywords

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