Download or read book Structure Activity Relationships in Environmental Sciences written by M. Nendza and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structure-Activity Relationships in Environmental Science is the first book of its kind that brings together information from a variety of sources into one document. It provides a comprehensive overview of the entire field of quantitative structure-activity relationships (QSARs) as well as being a reference for SAR experts. The book comprises three parts. Part One covers the theoretical background of structure-activity studies and Part Two deals with the practical applications of such methods in the environmental sciences. Part Three critically discusses SAR models with respect to their reliability and their aptness in environmental hazard and risk assessment. Recommendations are made as to which model to use and the case is presented for using QSARs in hazard assessment. The use of QSARs is becoming increasingly important since there is little experimental data available on environmentally relevant chemicals. Structure-Activity Relationships in Environmental Sciences will thus serve as an invaluable guide to both postgraduate and research scientists as well as professional ecologists.
Download or read book Quantitative Structure Activity Relationships in Drug Design Predictive Toxicology and Risk Assessment written by Roy, Kunal and published by IGI Global. This book was released on 2015-02-28 with total page 727 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Organotin written by M.A. Champ and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt: single toxicant before it, yet one that has now been brought under effective control-at least in estuaries and the nearshore environment. The problem with TBT and its cause was first recognized in France, then in the United Kingdom and the United States of America; and in these and other countries legislation is now in place (see Abel, Chapter 2; Champ and Wade, Chapter 3), but in many countries the hazard is only now being identified. This volume has the important function of making available to all a summary of the results of work on TBT and the main conclusions. It will help to minimize the duplication of research and speed the introduction of legislation around the world to control organotin pollution. It is the more valuable because research on TBT has often been published in less accessible journals and symposium proceedings. This volume brings together accounts of these findings by the major contributors to the TBT story, providing the most comprehensive account to date. The TBT problem has proved to be instructive in a number of different ways beyond the bounds of the specific issue (Stebbing, 1985). Most important is that TBT can be seen as a challenge to monitoring systems for nearshore waters, by which it can be judged how effective monitoring has been in fulfilling its purpose, and what improvements should be made. Most instructive was the time it took to bring TBT under control.
Download or read book Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment written by Kunal Roy and published by Academic Press. This book was released on 2015-03-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. - Includes numerous practical examples related to QSAR methods and applications - Follows the Organization for Economic Co-operation and Development principles for QSAR model development - Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools
Download or read book Mixture Toxicity written by Cornelis A. M. van Gestel and published by CRC Press. This book was released on 2016-04-19 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Computational Toxicology written by Orazio Nicolotti and published by Humana Press. This book was released on 2018-06-24 with total page 439 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume explores techniques that are currently used to understand solid target-specific models in computational toxicology. The chapters are divided into four sections and discuss topics such as molecular descriptors, QSAR and read-across; molecular and data modeling techniques to comply with both scientific and regulatory sides; computational toxicology in drug discovery; and strategies on how to predict various human-health toxicology endpoints. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the methods and software tools used, step-by-step, readily reproducible computational protocols, and tips on troubleshooting and avoiding known pitfalls. Comprehensive and cutting-edge, Computational Toxicology: Methods and Protocols is a valuable resource for researchers who are interested in learning more about this expanding field.
Download or read book Pharmaceuticals in the Environment written by Klaus Kümmerer and published by Springer Science & Business Media. This book was released on 2008-10-10 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt: Following the success of the first edition, this pioneering study of pharmaceuticals in the environment has been updated and greatly extended. It includes the status of research on pharmaceuticals in soil, with attention to terrestrial and aquatic environments as well as new substance categories such as tetracylines and chinolones and the latest results concerning contamination of the environment and risk reduction.
Download or read book Chemical Alternatives Assessments written by R M Harrison and published by Royal Society of Chemistry. This book was released on 2013-04-30 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemicals are an essential part of everyday life and all too-often taken for granted, yet often portrayed negatively in the media. Concern over the deleterious effects of chemicals to the environment and human health have prompted governments in the developed world to establish screening programmes such as REACH and HPV Challenge to identify chemicals presenting the greatest degree of risk to health and the environment. While such programmes identify chemicals with the greatest risk, there is no ranking system for alternative chemicals, which while being potentially less harmful, still carry a degree of risk. This volume of the Issues in Environmental Science and Technology series investigates how the alternatives can be assessed and their risk determined. With contributions from experts across the globe, this volume addresses some of the key concepts behind risk assessment of alternative chemicals. Some of the current protocols adopted are discussed, and several chapters explore the topic in the context of industry, making this book essential reading for industrialists as well as academics, postgraduate students and policy makers.
Download or read book Chemometrics and Cheminformatics in Aquatic Toxicology written by Kunal Roy and published by John Wiley & Sons. This book was released on 2022-01-06 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Ecotoxicological QSARs written by Kunal Roy and published by Humana. This book was released on 2020-01-17 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Predicting Chemical Toxicity and Fate written by Mark T.D. Cronin and published by CRC Press. This book was released on 2004-05-10 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives.
Download or read book QSAR in Safety Evaluation and Risk Assessment written by Huixiao Hong and published by Elsevier. This book was released on 2023-08-12 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: QSAR in Safety Evaluation and Risk Assessment provides comprehensive coverage on QSAR methods, tools, data sources, and models focusing on applications in products safety evaluation and chemicals risk assessment. Organized into five parts, the book covers almost all aspects of QSAR modeling and application. Topics in the book include methods of QSAR, from both scientific and regulatory viewpoints; data sources available for facilitating QSAR models development; software tools for QSAR development; and QSAR models developed for assisting safety evaluation and risk assessment. Chapter contributors are authored by a lineup of active scientists in this field. The chapters not only provide professional level technical summarizations but also cover introductory descriptions for all aspects of QSAR for safety evaluation and risk assessment. - Provides comprehensive content about the QSAR techniques and models in facilitating the safety evaluation of drugs and consumer products and risk assesment of environmental chemicals - Includes some of the most cutting-edge methodologies such as deep learning and machine learning for QSAR - Offers detailed procedures of modeling and provides examples of each model's application in real practice
Download or read book Computational Toxicology written by Sean Ekins and published by John Wiley & Sons. This book was released on 2018-02-13 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book A Primer on QSAR QSPR Modeling written by Kunal Roy and published by Springer. This book was released on 2015-04-11 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.
Download or read book Computational Toxicology written by Orazio Nicolotti and published by Springer Nature. This book was released on with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Handbook of Molecular Descriptors written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.
Download or read book Handbook of Environmental Risk Assessment and Management written by Peter P. Calow and published by John Wiley & Sons. This book was released on 2009-07-08 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: At the heart of environmental protection is risk assessment: thelikelihood of pollution from accidents; the likelihood of problemsfrom normal and abnormal operation of industrial processes; thelikely impacts associated with new synthetic chemicals; and so on.Currently, risk assessment has been very much in the news--therisks from BSE and E. coli, and the public perception of risks fromnuclear waste, etc. This new publication explains how scientificmethodologies are used to assess risk from human activities and theresultant objects and wastes, on people and the environment.Understanding such risks supplies crucial information--to framelegislation, manage major habitats, businesses and industries, andcreate development programmes. Unique in combining the science of risk assessment with thedevelopment of management strategies. Covers science and social science (politics, economics,psychology) aspects. Very timely - risk assessment lies at the heart of decisionmaking in various topical environmental questions (BSE, Brent Spar,nuclear waste).
