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- W1978404151 abstract "The use of quantitative structure-activity relationships (QSARs) based on linear free-energy relationships (LFERs), molecular connectivity (MC) indices, and on more sophisticated quantum mechanical approaches, for predicting soil sorption coefficients is reviewed. The nature and energetics of sorption of organic chemicals by soils are also briefly reviewed. On the basis of the data presented we may conclude that from the large body of physicochemical parameters, the n-octanol/water partition coefficient (Kow) has been most successful in modeling sorption data of organic chemicals. From the large set of nonempirical parameters that are defined in terms of a compound's 2- or 3-dimensional structure and can be derived for any chemical without experimental efforts, the MC indices have proven the most reliable and easily available." @default.
- W1978404151 created "2016-06-24" @default.
- W1978404151 creator A5021205925 @default.
- W1978404151 date "2002-11-01" @default.
- W1978404151 modified "2023-10-18" @default.
- W1978404151 title "Quantitative structure-activity relationships (QSARs) as a tool for predicting the sorption of organic chemicals in soils" @default.
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- W1978404151 doi "https://doi.org/10.1560/0p99-xt6b-9amm-x3cm" @default.
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