Co-Authors:
Gerstl, Z., Inst. Soil, Water Environ. Science, Agricultural Research Organization, Volcani Center, P.O. Box 6, Bet Dagan 50250, Israel
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.
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מונוכרום
הדגשת קישורים
חסימת אנימציה
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