Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals |
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Authors: | S.D. Dimitrov O.G. Mekenyan J.D. Walker |
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Affiliation: | 1. Laboratory of Mathematical Chemistry , University "Prof As. Zlatarov" , Bourgas, 8010, Bulgaria;2. TSCA Interagency Testing Committee , US EPA , 401 M Street, SW, Washington, DC, USA |
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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 K OW 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. |
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Keywords: | Bioconcentration Factor Toxicity Qsar Hydrophilic Compounds |
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