QSAR in Environmental Toxicology - II : Proceedings of the 2nd International Workshop on QSAR in Environmental Toxicology, Held at McMaster University, Hamilton, Ontario, Canada, June 9–13, 1986

Over the past few years, research in the field of quantitative structure-activity relationships (QSAR) in chemistry, biology, pharmacology, toxicology, and environmental sciences has seen strong growth. New journals and books have appeared in each of these fields, however, the combination of QSAR and environmental sciences is still in its infancy. After the success of the Workshop on Quantitative Structure-Activity Relationships (QSAR) in Environmental Toxicology, held at McMaster University, Aug ust 16-18, 1983, with the proceedings publ ished in 1984 [QSA R in Environmental Toxicology, Kaiser, K. L. E. (Ed. ), D. Reidel Pub!. Co. , Dordrecht, 406 p. , ISBN 90-277 -1776-1], it was time to hold another workshop in 1986. Indeed, the response by the scientific community was excellent with over 50 participants from Canada, Germany, Great Britain, Hungary, India, Japan, The Netherlands, United States, and Yugoslavia. Moreover, both breadth and depth of papers given were significantly improved and the workshop discussions were intense and frank. Regrettably, the number of participants, number of papers given and submitted for these proceedings made it impossible to include the workshop discussions of these papers. However, several manuscripts were revised on the basis of these discussions and, therefore, do reflect this very interactive workshop. This volume presents the majority of papers given at the 2nd International Workshop on QSAR in Environmental Toxicology, held at McMaster University, June 9-13, 1986. Many of these papers contain primary, new scientific data, equations and results which will not appear elsewhere. Front Matter....Pages i-xvi A Discussion of Correlations for Narcosis in Aquatic Species....Pages 1-16 Interrelationship Between Biodegradability, Toxicity and Structure of Chlorophenols....Pages 17-23 Structure/Environmental Fate Relationships....Pages 25-42 Bioaccumulaton of Phenols in Zebrafish Determined by a Dynamic Flow Through Test....Pages 43-53 Tissue Distribution and Elimination of 1,2,3,4-, 1,2,3,5- and 1,2,4,5-Tetrachlorobenzene in the Rat....Pages 55-60 Assessing the Administrative Utility of the Qsar Information System ....Pages 61-69 Metabolexpert: An Expert System for Predicting Metabolism of Substances....Pages 71-81 Correlation of Biodegradability with Atomic Charge Difference and Superdelocalizability....Pages 83-89 Prediction of Rat Oral LD50 From Daphnia Magna LC50 and Chemical Structure....Pages 91-106 Factors Determining Partitioning of Hydrophobic Organic Chemicals in Aquatic Organisms....Pages 107-123 Quantitative Structure-Activity Relationship Studies: Acute Toxicity of Environmental Contaminants....Pages 125-133 QSAR Studies for Fish Toxicity Data of Organophosphorus Compounds and other Classes of Reactive Organic Compounds....Pages 135-152 QSAR of Acute Toxicity of Mono-Substituted Benzene Derivatives to Photobacterium Phosphoreum ....Pages 153-168 QSAR of Acute Toxicity of 1,4-Di-Substituted Benzene Derivatives and Relationships with the Acute Toxicity of Corresponding Mono-Substituted Benzene Derivatives....Pages 169-188 Quantitative Structure-Activity Studies of Di-and Triorganotin Compounds....Pages 189-206 Relationship between Toxicity and Bioconcentration for Some Organic Chemicals. I. Examination of the Relationship....Pages 207-220 Relationship Between Toxicity and Bioconcentration for Some Organic Chemicals. II. Application of the Relationship....Pages 221-229 Comparison of Fish Toxicity Screening Data and QSAR Predictions for 48 Aniline Derivatives....Pages 231-250 Partitioning Relationships for Chlorinated Organics Between Water and Particulates in the St. Clair, Detroit and Niagara Rivers....Pages 251-260 Quantitative Structure-Activity Relationships (QSAR) and Toxicity Data in Hazard Assessment....Pages 261-270 Taft Sigma and Sigma, Constants Improve Log Octanol/Water Partition Coefficient Based QSAR for Fathead Minnow Toxicity....Pages 271-280 The Use of Luminescent Bacteria in the Study of Structure/Toxicity Relationships for Trichothecenes....Pages 281-293 An Analysis of Published Data on Fish Toxicity of Nitrobenzene and Aniline Derivatives....Pages 295-308 Nonempirical Modeling of Environmental Distribution and Toxicity of Major Organic Pollutants....Pages 309-332 Structure-Activity Relationships for Para-Substituted Phenols....Pages 333-345 Physical-Chemical Properties of Three Congeneric Series of Chlorinated Aromatic Hydrocarbons....Pages 347-362 The Relationship between Bioaccumulation and Lipid Content of Fish....Pages 363-373 Multiparameter Correlations between Properties of Metal Ions and Their Acute Toxicity in Mice....Pages 375-383 Structure-Toxicity Relationships for Industrial Chemicals Causing Type (II) Narcosis Syndrome....Pages 385-391 Influence of Life Cycle Stage on Toxicity: The Matacil 1.8D - Chlamydomonas Example....Pages 393-400 Calmodulin Inhibition: A Possible Predictor of Metal-Ion Toxicity....Pages 401-405 Back Matter....Pages 407-465