Chemistry

   

Comment on "QSPR Model for Bioconcentration Factors of Nonpolar Organic Compounds Using Molecular Electronegativity Distance Vector Descriptors"

Authors: Sierra Rayne

In their article, Qin et al. [Mol Divers (2010) 14:67-80] construct a quantitative structure-property relationship model to predict the bioconcentration factors of purportedly nonpolar organic compounds. A number of the compounds examined by these authors are not nonpolar as claimed, but instead have associated pKa values that would render the molecules significantly, and - in some cases - effectively entirely, ionized under conditions relevant for bioconcentration in freshwater and/or marine aquatic systems.

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[v1] 2013-03-23 21:55:23

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