Advances in bioconcentration prediction
作者： G. Schüürmann , W. Klein
DOI: 10.1016/0045-6535(88)90207-X
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摘要: Abstract A reexamination of the log-log relationship between bioconcentration factor in fish (BCF) and different types POW data for a set 49 compounds diverse chemical range reveals that overall correlation log BCF is only moderate but gets significantly improved by restriction to subset CHCs PAHs. Furthermore, comparison theoretical descriptors shows combined PAHs solvent accessible surface area (SASA) molar refraction (MR) are better predictors than calculated values according Leo's CLOGP-3.42 program.
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