Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals

被引:45
作者
Dimitrov, SD [1 ]
Mekenyan, OG
Walker, JD
机构
[1] Univ Prov As Zlatarov, Lab Math Chem, Burgas 8010, Bulgaria
[2] US EPA, TSCA Interagency Testing Comm, Washington, DC 20460 USA
关键词
bioconcentration factor; toxicity; QSAR; hydrophilic compounds;
D O I
10.1080/10629360290002299
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:177 / 184
页数:8
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