Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals.
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.
Dimitrov
S D
SD
Laboratory of Mathematical Chemistry, University Prof As. Zlatarov, Bourgas, Bulgaria. sdimitrov@btu.bg
Mekenyan
O G
OG
Walker
J D
JD
D000818:Animals; D004305:Dose-Response Relationship, Drug; D005399:Fishes; D005544:Forecasting; D007928:Lethal Dose 50; D009294:Narcotics / Q000008:administration & dosage / Q000009:adverse effects* / Q000493:pharmacokinetics*; D013329:Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000633:toxicity*
D009294:Narcotics; D014874:Water Pollutants, Chemical