Abstract
A hazard assessment scheme was developed and applied to predict potential harm to aquatic biota of nearly 500 organic compounds detected by GC/MS in Great Lakes fish. The frequency of occurrence and estimated concentrations of compounds found in lake trout (Salvelinus namaycush) and walleyes (Stizostedion v. vitreum) were compared with available manufacturing and discharge information. Bioconcentration potential of the compounds was estimated from available data or from quantitative structure-activity relationship (QSAR) calculations. We also measured the acute toxicity to Daphnia pulex (48-hr EC50s) of 35 representative compounds and compared the results with acute toxicity values generated by QSAR. The QSAR-derived toxicities for several chemicals underestimated the actual acute toxicity by one or more orders of magnitude. A multiple regression of log EC50 on log water solubility and molecular volume is a useful predictive model.
Contribution 664, National Fisheries Center - Great Lakes, Ann Arbor, Michigan 48105, U.S.A.
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© 1987 D. Reidel Publishing Company
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Passino, D.R.M., Smith, S.B. (1987). Quantitative Structure-Activity Relationships (QSAR) and Toxicity Data in Hazard Assessment. In: Kaiser, K.L.E. (eds) QSAR in Environmental Toxicology - II. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-3937-0_20
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DOI: https://doi.org/10.1007/978-94-009-3937-0_20
Publisher Name: Springer, Dordrecht
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