Quantum chemical modelling of soil sorption coefficients: Multiple linear regression models☆
作者： Martin Müller
DOI: 10.1016/S0045-6535(97)00162-8
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摘要: Abstract Soil sorption coefficients for nonpolar compounds easily can be modelled with log P OW or connectivity indices. This is not the case polar compounds: substances either compound class dependent models using correction factors based on substructures are described in literature. In present study a systematic search multiple linear regression and several quantum chemical descriptors was performed to model K OC set of 66 from different classes (pesticides other chemicals. It shown that soil coefficient one equation whole data set.
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