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Prediction of Soil Sorption Coefficient of a Diverse Set of Organic Chemicals From Molecular Structure

✍ Scribed by Huuskonen, J.

Book ID
124149548
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
96 KB
Volume
43
Category
Article
ISSN
0095-2338

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## Abstract The soil/sediment adsorption partition coefficient normalized to organic carbon (__K__~oc~) is extensively used to assess the fate of organic chemicals in hazardous waste sites. Several attempts have been made to estimate the value of __K__~oc~ from chemical structure or its parameters.

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## Abstract A group contribution approach based on atom‐type electrotopological state indices for predicting the soil sorption coefficient (log __K__~OC~) of a diverse set of 201 organic pesticides is presented. Using a training set of 143 compounds, for which the log __K__~OC~ values were in the r