Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility.

Authors :: Klimenko, Kyrylo
Kuz'min, Victor
Ognichenko, Liudmila
Gorb, Leonid
Shukla, Manoj
Vinas, Natalia
Perkins, Edward
Polishchuk, Pavel
Artemenko, Anatoly
Leszczynski, Jerzy
Source :: Journal of Computational Chemistry. 8/15/2016, Vol. 37 Issue 22, p2045-2051. 8p.
Publication Year :: 2016
Abstract: A model developed to predict aqueous solubility at different temperatures has been proposed based on quantitative structure-property relationships (QSPR) methodology. The prediction consists of two steps. The first one predicts the value of k parameter in the linear equation [ABSTRACT FROM AUTHOR]

Subjects :: *QSAR models
*LINEAR equations
*TURBIDIMETRIC titrations
*SOLUBILITY
*THERMODYNAMICS

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