Estimation of octanol/water partition coefficients using LSER parameters

Advances in Environmental Research
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The logarithms of octanol/water partition coefficients, logKow, were regressed against the linear solvation energy relationship (LSER) parameters for a training set of 981 diverse organic chemicals. The standard deviation for logKow was 0.49. The regression equation was then used to estimate logKow for a test of 146 chemicals which included pesticides and other diverse polyfunctional compounds. Thus the octanol/water partition coefficient may be estimated by LSER parameters without elaborate software but only moderate accuracy should be expected.
Publication type Article
Publication Subtype Journal Article
Title Estimation of octanol/water partition coefficients using LSER parameters
Series title Advances in Environmental Research
Volume 2
Issue 2
Year Published 1998
Language English
Publisher Nelson & Commons Communications
Publisher location Berkeley, CA
Contributing office(s) Great Lakes Science Center
Description 5 p.
Larger Work Type Article
Larger Work Subtype Journal Article
Larger Work Title Advances in Environmental Research
First page 181
Last page 185
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