Quantitative structure-activity relationships of nonspecific and specific toxicants in several organism species

摘要: The toxicities to Oryzias latipes, Daphnia pulex, and Chlorella vulgaris of nonspecific toxicants (alkanols, substituted benzenes, alkyl toluates) were well collineated with the logarithm octanol/water partition coefficient, log Kow. However, specific such as 3-(3,4-dichlorophenyl)-1,1-dimethylurea (DCMU), lindane, diflubenzuron, rotenone, buprofezin, dieldrin, 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane (DDT), fenvalerate exhibited excess dependent on test organism species. species-specific much higher than those expected from Kow seemed appear only when organisms possessed sites for toxicants. n-butyl- n-propyl-p-toluates latipes slightly lower predicted toxicity alleviation corresponded ester biodegradability measured in fish assay system. Thus simple quantitative structure-activity relationships (QSARs), using solely an appropriate set compounds bioassay systems, are useful not predicting environmental toxicants, including their mechanism action, but also assessment biodegradability.