Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review

Mamy, Laure; Patureau, Dominique; Barriuso, Enrique; Bedos, Carole; Bessac, Fabienne; Louchart, Xavier; Martin‐Laurent, Fabrice; Miège, Cécile; Benoît, Pierre

doi:10.1080/10643389.2014.955627

Public

Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review

Published in Critical Reviews in Environmental Science and Technology • Sep 9, 2014

Authors:

Laure Mamy

Dominique Patureau

Enrique Barriuso

Abstract

hydrophobic behavior (especially through the K OW parameter), adsorption to soils and biodegradation. A lack of QSAR was observed to estimate desorption or potential of transfer to water. Among the 686 molecular descriptors, five were found to be dominant in the 790 collected equations and the most ...

Subject

Quantitative structure–activity relationship

Molecular descriptor

Chemistry

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