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Predicting Chemical Toxicity And Fate
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Book Synopsis Predicting Chemical Toxicity and Fate by : Mark T.D. Cronin
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.
Book Synopsis Predictive Toxicology by : Christoph Helma
Download or read book Predictive Toxicology written by Christoph Helma and published by CRC Press. This book was released on 2005-03-17 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive overview of techniques and systems currently utilized in predictive toxicology, this reference presents an in-depth survey of strategies, algorithms, and prediction methods to select, calculate, and represent the features and properties of chemical structures in biological systems. It provides sources of high-quality toxicity data, the most important commercial and noncommercial predictive toxicology programs, and advanced technologies in computational chemistry, biology, statistics, and data mining. Predictive Toxicology explores applications that go beyond classical structure-activity relationships and discusses programs such as OncoLogic, META, MC4PC, PASS, and lazar.
Book Synopsis Drug-like Properties: Concepts, Structure Design and Methods by : Li Di
Download or read book Drug-like Properties: Concepts, Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint
Book Synopsis Fundamentals Of Aquatic Toxicology by : Gary M. Rand
Download or read book Fundamentals Of Aquatic Toxicology written by Gary M. Rand and published by CRC Press. This book was released on 2020-08-06 with total page 1152 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text is divided into three parts. The first part describes basic toxicological concepts and methodologies used in aquatic toxicity testing, including the philosophies underlying testing strategies now required to meet and support regulatory standards. The second part of the book discusses various factors that affect transport, transformation, ultimate distribution, and accumulation of chemicals in the aquatic environment, along with the use of modelling to predict fate.; The final section of the book reviews types of effects or endpoints evaluated in field studies and the use of structure-activity relationships in aquatic toxicology to predict biological activity and physio-chemical properties of a chemical. This section also contains an extensive background of environmental legislation in the USA and within the European Community, and an introduction to hazard/risk assessment with case studies.
Book Synopsis Chemometrics and Cheminformatics in Aquatic Toxicology by : Kunal Roy
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.
Book Synopsis Applied Chemoinformatics by : Thomas Engel
Download or read book Applied Chemoinformatics written by Thomas Engel and published by John Wiley & Sons. This book was released on 2018-06-05 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
Book Synopsis Mixture Toxicity by : Cornelis A. M. van Gestel
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
Book Synopsis In Silico Toxicology by : Mark T. D. Cronin
Download or read book In Silico Toxicology written by Mark T. D. Cronin and published by Royal Society of Chemistry. This book was released on 2010 with total page 689 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book defines the use of computational approaches to predict the environmental toxicity and human health effects of organic chemicals.
Book Synopsis Chemical Toxicity Prediction by : Mark Cronin
Download or read book Chemical Toxicity Prediction written by Mark Cronin and published by Royal Society of Chemistry. This book was released on 2013-10-03 with total page 207 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to provide the scientific background to using the formation of chemical categories, or groups, of molecules to allow for read-across i.e. the prediction of toxicity from chemical structure. It covers the scientific basis for this approach to toxicity prediction including the methods to group compounds (structural analogues and / or similarity, mechanism of action) and the tools to achieve this. The approaches to perform read-across within a chemical category are also described. Chemical Toxicity Prediction provides concise practical guidance for those wishing to apply these methods (in risk / hazard assessment) and will be illustrated with case studies. This is the first book that addresses the concept of category formation and read-across for toxicity prediction specifically. This topic has really taken off in the past few years due to concerns over dealing with the REACH legislation and also due to the availability of the OECD (Q)SAR Toolbox. Much (lengthy and complex) guidance is available on category formation e.g. from the OECD and, to a lesser extent, the European Chemicals Agency but there is no one single source of information that covers all techniques in a concise user-friendly format.
Book Synopsis Applications of Toxicogenomic Technologies to Predictive Toxicology and Risk Assessment by : National Research Council
Download or read book Applications of Toxicogenomic Technologies to Predictive Toxicology and Risk Assessment written by National Research Council and published by National Academies Press. This book was released on 2007-11-19 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: The new field of toxicogenomics presents a potentially powerful set of tools to better understand the health effects of exposures to toxicants in the environment. At the request of the National Institute of Environmental Health Sciences, the National Research Council assembled a committee to identify the benefits of toxicogenomics, the challenges to achieving them, and potential approaches to overcoming such challenges. The report concludes that realizing the potential of toxicogenomics to improve public health decisions will require a concerted effort to generate data, make use of existing data, and study data in new waysâ€"an effort requiring funding, interagency coordination, and data management strategies.
Book Synopsis Modern Age Waste Water Problems by : Mohammad Oves
Download or read book Modern Age Waste Water Problems written by Mohammad Oves and published by Springer. This book was released on 2019-06-12 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a picture of the advances in the research of theoretical and practical frameworks of wastewater problems and solutions. The book deals with a basic concept and principles of modern biological, chemical and technical approaches to remediate various hazardous pollutants from wastewater. The latest empirical research findings in wastewater treatment are comprehensively discussed. Examples of low-cost technologies are also included. The book is written for professionals, researchers, academics and students wanting to improve their understanding of the strategic role of environmental protection and advanced applied technologies.
Book Synopsis Computational Toxicology by : Sean Ekins
Download or read book Computational Toxicology written by Sean Ekins and published by John Wiley & Sons. This book was released on 2007-06-30 with total page 855 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive analysis of state-of-the-art molecular modeling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals This unique volume describes how the interaction of molecules with toxicologically relevant targets can be predicted using computer-based tools utilizing X-ray crystal structures or homology, receptor, pharmacophore, and quantitative structure activity relationship (QSAR) models of human proteins. It covers the in vitro models used, newer technologies, and regulatory aspects. The book offers a complete systems perspective to risk assessment prediction, discussing experimental and computational approaches in detail, with: * An introduction to toxicology methods and an explanation of computational methods * In-depth reviews of QSAR methods applied to enzymes, transporters, nuclear receptors, and ion channels * Sections on applying computers to toxicology assessment in the pharmaceutical industry and in the environmental arena * Chapters written by leading international experts * Figures that illustrate computational models and references for further information This is a key resource for toxicologists and scientists in the pharmaceutical industry and environmental sciences as well as researchers involved in ADMET, drug discovery, and technology and software development.
Book Synopsis Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Second Edition by : Donald Mackay
Download or read book Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Second Edition written by Donald Mackay and published by CRC Press. This book was released on 2006-03-14 with total page 1000 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transport and transformation processes are key for determining how humans and other organisms are exposed to chemicals. These processes are largely controlled by the chemicals’ physical-chemical properties. This new edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is a comprehensive series in four volumes that serves as a reference source for environmentally relevant physical-chemical property data of numerous groups of chemical substances. The handbook contains physical-chemical property data from peer-reviewed journals and other valuable sources on over 1200 chemicals of environmental concern. The handbook contains new data on the temperature dependence of selected physical-chemical properties, which allows scientists and engineers to perform better chemical assessments for climatic conditions outside the 20–25-degree range for which property values are generally reported. This second edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is an essential reference for university libraries, regulatory agencies, consultants, and industry professionals, particularly those concerned with chemical synthesis, emissions, fate, persistence, long-range transport, bioaccumulation, exposure, and biological effects of chemicals in the environment. This resource is also available on CD-ROM
Author :Mohammad Hossein Keshavarz Publisher :Walter de Gruyter GmbH & Co KG ISBN 13 :3111189678 Total Pages :210 pages Book Rating :4.1/5 (111 download)
Book Synopsis Toxicity: 77 Must-Know Predictions of Organic Compounds by : Mohammad Hossein Keshavarz
Download or read book Toxicity: 77 Must-Know Predictions of Organic Compounds written by Mohammad Hossein Keshavarz and published by Walter de Gruyter GmbH & Co KG. This book was released on 2023-10-04 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to the advances of various methods for the prediction of toxicity of organic compounds and ionic liquids (ILs), it is necessary to review these methods for scientists and students. It is essential to compare the advantages and shortcomings of these methods. Since many organic compounds and ILs are synthesized each year, this book introduces suitable models for the assessment of their toxicities. This book reviews the best predictive methods for the prediction of toxicity of organic compounds and ILs, which were derived by in vitro or in vivo experiments. Different available quantitative structure‐toxicity relationship (QSTR) models based on various descriptors have been discussed to predict toxicity parameters such as LD50 (50% lethal dose), EC50 (the concentration of the desired IL that produces mortality of 50 percent of the bacterial population) and log(IGC50-1) (logarithm of 50% growth inhibitory concentration of T. pyriformis) of various classes of organic compounds and ILs. The reliability of these methods is compared and discussed. Each chapter contains some complimentary problems with their answers, which can improve the experience of students and researchers. The introduced subjects are suitable for advanced students in chemistry, biochemistry, medicinal chemistry, and chemical engineering.
Book Synopsis Chemical Alternatives Assessments by : R M Harrison
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.
Author :Francisco Sánchez-Bayo, Paul J. van den Brink, Reinier M. Mann Publisher :Francisco Sanchez-Bayo ISBN 13 :1608051218 Total Pages :288 pages Book Rating :4.6/5 (8 download)
Book Synopsis Ecological Impacts of Toxic Chemicals by : Francisco Sánchez-Bayo, Paul J. van den Brink, Reinier M. Mann
Download or read book Ecological Impacts of Toxic Chemicals written by Francisco Sánchez-Bayo, Paul J. van den Brink, Reinier M. Mann and published by Francisco Sanchez-Bayo. This book was released on 2011-09-09 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ecological Impacts of Toxic Chemicals presents a comprehensive, yet readable account of the known disturbances caused by all kinds of toxic chemicals on both aquatic and terrestrial ecosystems. Topics cover the sources of toxicants, their fate and distribution through the planet, their impacts on specific ecosystems, and their remediation by natural systems. Each chapter is written by well-known specialists in those areas, for the general public, students, and even scientists from outside this field. The book intends to raise awareness of the dangers of chemical pollution in a world dominated by industry and globalization of resources. Because the problems are widespread and far reaching, it is hoped that confronting the facts may prompt better management practices at industrial, agricultural and all levels of management, from local to governmental, so as to reduce the negative impacts of chemical contaminants on our planet.
Book Synopsis Environmental Toxicology and Chemistry by : Donald G. Crosby
Download or read book Environmental Toxicology and Chemistry written by Donald G. Crosby and published by Oxford University Press on Demand. This book was released on 1998 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Although they are two aspects of the same subject, environmental toxicology and environmental chemistry are usually presented as though they are entirely separate from one another; even their practitioners often seem unaware of the connections. Environmental Toxicology and Chemistry is the first text to tie these subjects closely together, demonstrating the immediate relevance of each subject to the other while also providing basic, easily understandable introductions to both areas. This unique work presents their principles and applications through numerous illustrative examples and special topics that highlight current environmental concerns. It provides up-to-date as well as historical examples of both subjects and includes discussions of ecotoxicology, epidemiology, predictive methods, and other topics not covered in similar texts. It also includes invertebrates and nonmammal vertebrates, plants, and microorganisms, as well as humans and other mammals. The first five chapters place chemicals in the environment; the following five provide the biological and toxicological settings; and the remaining six chapters offer examples of specific chemicals, their toxic effects and significance, and predictions of fate and toxicity. Each chapter concludes with a discussion of a related topic of particular public and scientific interest, such as chemical carcinogens, pesticide residues, or hazardous wastes. Ideal for advanced undergraduate and graduate students in environmental toxicology courses, Environmental Toxicology and Chemistry offers a timely, comprehensive introduction to the principles of toxicology as they apply to our environment. It is also useful for professionals and practitioners in a wide range of environmentally related fields and businesses.
