QSAR in Environmental Toxicology, 1984
Proceedings of the Workshop on Quantitative Structure-Activity Relationships (QSAR) in Environmental Toxicology held at McMaster University, Hamilton, Ontario, Canada, August 16-18, 1983

Ever since Rachel Carson's Silent Spring, we have generally become aware of environmental contaminants and their effects on the ecosystem. The findin~ of PCB's in fish by Soren Jensen in Sweden, the recognition of mirex as contaminant in fish from Lake Ontario, and the discoveries of contaminant laden leachates from dumpsites such as the Love Canal have become milestones in the search for and charac­ terization of contaminants in our environment. At this time, the problem no longer is so much the identifi­ cation of contaminants and their sources. Rather, we are now faced with solving questions on the fates and effects of such compounds. This includes the search for mechanisms to deal effectively with the large number of chemicals already found in water, air and biota. One of such time and cost saving scientific avenues is the field of quantitative structure-activity correlations for the prediction of the environmental behavior and effects of compounds.

Foreword.- Structure—activity relationships for toxicity of hydrocarbons, chlorinated hydrocarbons and oils to Daphnia magna.- Comparative toxicity and metabolism of tetrachlorobenzene isomers.- An examination of the role of rotational barriers in the toxicology of PCB’s.- The use of rapid biochemical indicators of toxicant stress to generate biological data bases for QSAR.- The use of SIMCA pattern recognition in the analysis of complex chromatographic data.- Structure—activity models of biological oxygen demand.- Environmental hazard profile—test results as related to structures and translation into the environment.- Predicting the environmental fate of toxic contaminants in large lakes: data requirements for mathematical models.- The need and requirements for quantitative structure—activity relations (QSAR) in the Great Lakes Water Quality Program.- Assessment of mutagenic effects in amphibian embryos.- Lethal dose versus lethal concentration as indicator of contaminant toxicity to fish.- QSAR studies on chlorophenols, chlorobenzenes and para—substituted phenols.- Quantitative structure—activity relationships in ecotoxicology: possibilities and limits.- Toxicities of selected chloroanilines to four strains of yeast.- Comparative structure—toxicity relationships between acute and chronic effects to aquatic organisms.- Relationships between physical—chemical and environmental partitioning coefficients.- Validation of fish toxicity QSARs for certain non-reactive, non—electrolyte organic compounds.- The relationship between bioconcentration factor in rainbow trout and physical—chemical properties for some halogenated compounds.- Toxicities of chloroanilines to Photobacterium phosphoreum and their correlations with effects on other organisms and structural parameters.- Structure—activity correlations of selected azaarenes, aromatic amines, and nitroaromatics.- Data evaluation in the development of QSAR.- General Discussion.- Author Index.- Formula Index.