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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.
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.
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.
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.
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.
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
Dieses Buch ist ein wichtiges Referenzwerk für Toxikologen in vielen Bereichen und bietet eine umfassende Analyse molekular Modellansätze und Strategien der Risikobewertung von pharmazeutischen und Umweltchemikalien. - Zeigt, was mit rechnergestützter Toxikologie aktuell erreicht werden kann, und wirft einen Blick auf zukünftige Entwicklungen. - Gibt Antworten zu Themen wie Datenquellen, Datenpflege, Behandlung, Modellierung und Interpretation kritischer Endpunkte im Hinblick auf Gefahrenbewertungen im 21. Jahrhundert. - Bündelt herausragende Konzepte und das Wissen führender Autoren in einem einzigartigen Referenzwerk. - Untersucht detailliert QSAR-Modelle, Eigenschaften physiochemischer Arzneistoffe, strukturbasiertes Drug Targeting, die Bewertung chemischer Mischungen und Umweltmodelle. - Behandelt zusätzlich die Sicherheitsbewertung von Verbraucherprodukten und den Bereich chemische Abwehr und bietet Kapitel zu Open-Source-Toxikologie und Big Data.
The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.
After fifteen years and three editions, Introduction to Environmental Toxicology: Molecular Substructures to Ecological Landscapes has become a standard that defines the field of environmental toxicology, and the fourth edition is no exception. The authors take an integrated approach to environmental toxicology that emphasizes scale and context as important factors in understanding effects and management options. New in the Fourth Edition: New author, Dr. Ruth M. Sofield 8-page color insert New chapter on fate and transport of contaminants Emphasis on the use of all types of models in understanding how nature works Revised sections on synergy and atrazine toxicity Updated coverage of the analysis of impacts to populations, communities and ecosystems Enlarged risk assessment chapter with an in-depth description of a regional scale risk assessment This edition benefits from the insight of a new author, Dr. Ruth M. Sofield, who prepared the new chapter on the fate and transport of contaminants. The relationship between structure and toxicological properties has been a major theme of this book since its inception and this new chapter expands this fundamental concept to include fate and transport. In the early chapters the use of models in science is discussed and this theme carries throughout the rest of the book. So much has changed in the fifteen years since the publication of the first edition. The mid-1990s seem so long ago, when our understanding of environmental toxicology was very basic. Ecological risk assessment was in its very early stages and the consideration of the effects of toxicants on landscapes was only beginning. Computation was still hard, genes stayed put, and it was only becoming recognized that xenobiotics could have hormonal effects — developments that are taken for granted in this edition. Written by authors who teach this subject, a feature that is reflected in their straightforward style, the book provides a foundation for understanding environmental toxicology and its application.