Nonlinear dependence of fish bioconcentration on n-octanol/water partition coefficient.
The log-log relationship between the bioconcentration tendency of organic chemicals in fish and the n -octanol/water partition coefficients breaks down for very hydrophobic compounds. The use of parabolic and bilinear models allows this problem to be overcome. The QSAR equation log BCF = 0.910 log P - 1.975 log (6.8 10(-7) P + 1) - 0.786 (n = 154; r = 0.950; s = 0.347; F = 463.51) was found to be a good predictor of bioconcentration in fish.
Bintein
S
S
CTIS, Lyon, France.
Devillers
J
J
Karcher
W
W
D020003:1-Octanol; D000818:Animals; D001555:Benzene Derivatives / Q000737:chemistry / Q000493:pharmacokinetics / Q000633:toxicity; D001572:Benzofurans / Q000737:chemistry / Q000493:pharmacokinetics / Q000633:toxicity; D005399:Fishes / Q000378:metabolism*; D016014:Linear Models; D008956:Models, Chemical; D000442:Octanols / Q000737:chemistry; D010575:Pesticides / Q000737:chemistry / Q000493:pharmacokinetics / Q000633:toxicity; D011078:Polychlorinated Biphenyls / Q000737:chemistry / Q000493:pharmacokinetics / Q000633:toxicity; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry / Q000493:pharmacokinetics / Q000633:toxicity; D013045:Species Specificity; D013329:Structure-Activity Relationship; D014867:Water / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis / Q000493:pharmacokinetics* / Q000633:toxicity
D001555:Benzene Derivatives; D001572:Benzofurans; D000442:Octanols; D010575:Pesticides; D011084:Polycyclic Aromatic Hydrocarbons; D014874:Water Pollutants, Chemical; D014867:Water; D011078:Polychlorinated Biphenyls; D020003:1-Octanol