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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.
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.
Each volume in the series focuses on a particular taxon, presenting detailed and reliable ecotoxicological results from both laboratory and field experiments, performed for a comprehensive range of chemicals. A taxonomical guide to the species is given, together with relevant biological and ecological information.In recent times much attention has been focused on the effects of anthropogenic emissions of chemicals. This series is unique in providing a considered estimate of the potential impact of such chemicals on the environment.
CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.
Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.
Environmental Toxicology is the third volume of a three-volume set on molecular, clinical and environmental toxicology that offers a comprehensive and in-depth response to the increasing importance and abundance of chemicals of daily life. By providing intriguing insights far down to the molecular level, this three-volume work covers the entire range of modern toxicology with special emphasis on recent developments and achievements. It is written for students and professionals in medicine, science, public health or engineering who are demanding reliable information on toxic or potentially harmful agents and their adverse effects on the human body.
This volume focuses on computational modeling of the ecotoxicity of chemicals and presents applications of quantitative structure–activity relationship models (QSARs) in the predictive toxicology field in a regulatory context. The extensive book covers a variety of protocols for descriptor computation, data curation, feature selection, learning algorithms, validation of models, applicability domain assessment, confidence estimation for predictions, and much more, as well as case studies and literature reviews on a number of hot topics. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical advice that is essential for researchers everywhere. Authoritative and comprehensive, Ecotoxicological QSARs is an ideal source to update readers in the field with current practices and introduce to them new developments and should therefore be very useful for researchers in academia, industries, and regulatory bodies.
Measurement of the extent of the toxic insult caused by the substance involved is of importance when undertaking an environmental toxicology assessment. This text outlines some of the measurement techniques that have been recently developed and
In the last decade and a half, great progress has been made in the development of concepts and models for mixture toxicity, both in human and environmental toxicology. However, due to their different protection goals, developments have often progressed in parallel but with little integration. Arguably the first book to clearly link ecotoxicology an