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Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals
S D Dimitrov1, O G Mekenyan, J D Walker
1Laboratory of Mathematical Chemistry, University Prof As. Zlatarov, Bourgas, Bulgaria. sdimitrov@btu.bg
SAR and QSAR in Environmental Research
|June 21, 2002
Abstract:
Bioconcentration factors (BCFs) have traditionally been used to describe the tendency of chemicals to concentrate in aquatic organisms. A reexamination of the log-log QSAR between the BCF and Kow for non-congener narcotic chemicals is presented on the basis of recommended data for fish. The model is extended to give a simple correlation between BCF and the toxicity of highly, moderately and weakly hydrophilic chemicals. For the first time, in this study an equation for calculating BCF was applied in a QSAR model for predicting the acute toxicity of chemicals to aquatic organisms.