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Computational Toxicology

Computational Toxicology
  • Author : Sean Ekins
  • Publisher :Unknown
  • Release Date :2018-02-13
  • Total pages :432
  • ISBN : 9781119282563
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Summary : A key resource for toxicologists across a broad spectrum of fields, this book offers a comprehensive analysis of molecular modelling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals. • Provides a perspective of what is currently achievable with computational toxicology and a view to future developments • Helps readers overcome questions of data sources, curation, treatment, and how to model / interpret critical endpoints that support 21st century hazard assessment • Assembles cutting-edge concepts and leading authors into a unique and powerful single-source reference • Includes in-depth looks at QSAR models, physicochemical drug properties, structure-based drug targeting, chemical mixture assessments, and environmental modeling • Features coverage about consumer product safety assessment and chemical defense along with chapters on open source toxicology and big data

Advances in Computational Toxicology

Advances in Computational Toxicology
  • Author : Huixiao Hong
  • Publisher :Unknown
  • Release Date :2019-05-21
  • Total pages :412
  • ISBN : 9783030164430
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Summary : This book provides a comprehensive review of both traditional and cutting-edge methodologies that are currently used in computational toxicology and specifically features its application in regulatory decision making. The authors from various government agencies such as FDA, NCATS and NIEHS industry, and academic institutes share their real-world experience and discuss most current practices in computational toxicology and potential applications in regulatory science. Among the topics covered are molecular modeling and molecular dynamics simulations, machine learning methods for toxicity analysis, network-based approaches for the assessment of drug toxicity and toxicogenomic analyses. Offering a valuable reference guide to computational toxicology and potential applications in regulatory science, this book will appeal to chemists, toxicologists, drug discovery and development researchers as well as to regulatory scientists, government reviewers and graduate students interested in this field.

Computational Toxicology

Computational Toxicology
  • Author : Orazio Nicolotti
  • Publisher :Unknown
  • Release Date :2018-06-24
  • Total pages :439
  • ISBN : 1493978985
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Summary : 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.

Computational Toxicology

Computational Toxicology
  • Author : Brad Reisfeld,Arthur N. Mayeno
  • Publisher :Unknown
  • Release Date :2013
  • Total pages :648
  • ISBN : 162703059X
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Summary : Rapid advances in computer science, biology, chemistry, and other disciplines are enabling powerful new computational tools and models for toxicology and pharmacology. These computational tools hold tremendous promise for advancing science, from streamlining drug efficacy and safety testing, to increasing the efficiency and effectiveness of risk assessment for environmental chemicals. Computational Toxicology provides biomedical and quantitative scientists with essential background, context, examples, useful tips, and an overview of current developments in the field. Divided into four sections, Volume I covers a wide array of methodologies and topics. Opening with an introduction to the field of computational toxicology and its current and potential applications, the volume continues with 'best practices' in mathematical and computational modeling, followed by chemoinformatics and the use of computational techniques and databases to predict chemical properties and toxicity, as well as an overview of molecular dynamics. The final section is a compilation of the key elements and main approaches used in pharmacokinetic and pharmacodynamic modeling, including the modeling of absorption, compartment and non-compartmental modeling, physiologically based pharmacokinetic modeling, interspecies extrapolation, and population effects. Written in the successful Methods in Molecular Biology series format where possible, chapters include introductions to their respective topics, lists of the materials and software tools used, methods, and notes on troubleshooting. Authoritative and easily accessible, Computational Toxicology will allow motivated readers to participate in this exciting field and undertake a diversity of realistic problems of interest.

Computational Toxicology

Computational Toxicology
  • Author : Bruce A. Fowler
  • Publisher :Unknown
  • Release Date :2013-06-04
  • Total pages :274
  • ISBN : 9780123965080
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Summary : Computational Toxicology: Methods and Applications for Risk Assessment is an essential reference on the translation of computational toxicology data into information that can be used for more informed risk assessment decision-making. This book is authored by leading international investigators who have real-world experience in relating computational toxicology methods to risk assessment. Key topics of interest include QSAR modeling, chemical mixtures, applications to metabolomic and metabonomic data sets, toxicogenomic analyses, applications to REACH informational strategies and much more. The examples provided in this book are based on cutting-edge technologies and set out to stimulate the further development of this promising field to offer rapid, better and more cost-effective answers to major public health concerns. Authored by leading international researchers engaged in cutting-edge applications of computational methods for translating complex toxicological data sets into useful risk assessment information Incorporates real-world examples of how computational toxicological methods have been applied to advance the science of risk assessment Provides the framework necessary for new technologies and fosters common vocabularies and principles upon which the effects of new chemical entities should be compared

ORD's Computational Toxicology Research Program Implementation Plan (FY 2006-2008)

ORD's Computational Toxicology Research Program Implementation Plan (FY 2006-2008)
  • Author : Anonim
  • Publisher :Unknown
  • Release Date :2006
  • Total pages :229
  • ISBN : OCLC:1098818542
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Summary :

Computational Toxicology

Computational Toxicology
  • Author : Bruce A. Fowler
  • Publisher :Unknown
  • Release Date :2013-06-04
  • Total pages :274
  • ISBN : 9780123965080
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Summary : Computational Toxicology: Methods and Applications for Risk Assessment is an essential reference on the translation of computational toxicology data into information that can be used for more informed risk assessment decision-making. This book is authored by leading international investigators who have real-world experience in relating computational toxicology methods to risk assessment. Key topics of interest include QSAR modeling, chemical mixtures, applications to metabolomic and metabonomic data sets, toxicogenomic analyses, applications to REACH informational strategies and much more. The examples provided in this book are based on cutting-edge technologies and set out to stimulate the further development of this promising field to offer rapid, better and more cost-effective answers to major public health concerns. Authored by leading international researchers engaged in cutting-edge applications of computational methods for translating complex toxicological data sets into useful risk assessment information Incorporates real-world examples of how computational toxicological methods have been applied to advance the science of risk assessment Provides the framework necessary for new technologies and fosters common vocabularies and principles upon which the effects of new chemical entities should be compared

Computational Toxicology

Computational Toxicology
  • Author : William Mendez,Bruce A. Fowler
  • Publisher :Unknown
  • Release Date :2013-06-04
  • Total pages :274
  • ISBN : 9780128060537
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Summary : The focus of the chapter is on the development and application of computational toxicology methods to human risk assessment. The various CompTox methods are defined, and a brief history of their development and applications in risk assessment is provided. The technological, economic, and public health concerns driving the development of the methods are described, along with how the specific forces shaped the historical and current use of CompTox methods in risk assessment. Translation research programs in the United States and OECD are briefly reviewed, and current applications of CompTox to risk assessment in the areas of screening, priority setting for testing and regulation, and the elucidation of adverse outcome pathways are discussed. Potential future directions for the application of computational toxicology in a wider range of risk applications are identified, along with ongoing research needs.

Computational Toxicology

Computational Toxicology
  • Author : Luis G. Valerio
  • Publisher :Unknown
  • Release Date :2013-06-04
  • Total pages :274
  • ISBN : 9780128060476
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Summary : The remarkable advances of high-performance computing to facilitate and increase efficiency in helping to resolve or support assessments on the toxic effects of chemicals on tissues and genomic material have led to development of novel in silico methods. These methods can support risk assessment via integration of study data that can be translated into meaningful predictive information. This chapter describes some methods in computational toxicology and how to integrate experimental data with computational assessments for supporting risk assessment.

Computational Systems Pharmacology and Toxicology

Computational Systems Pharmacology and Toxicology
  • Author : Rudy J Richardson,Dale E Johnson
  • Publisher :Unknown
  • Release Date :2017-03-03
  • Total pages :347
  • ISBN : 9781782623328
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Summary : The network approaches of systems pharmacology and toxicology serve as early predictors of the most relevant screening approach to pursue both in drug discovery and development and ecotoxicological assessments. Computational approaches have the potential to improve toxicological experimental design, enable more rapid drug efficacy and safety testing and also reduce the number of animals used in experimentation. Rapid advances in availability of computing technology hold tremendous promise for advancing applied and basic science and increasing the efficiency of risk assessment. This book provides an understanding of the basic principles of computational toxicology and the current methods of predictive toxicology using chemical structures, toxicity-related databases, in silico chemical-protein docking, and biological pathway tools. The book begins with an introduction to systems pharmacology and toxicology and computational tools followed by a section exploring modelling adverse outcomes and events. The second part of the book covers the discovery of protein targets and the characterisation of toxicant-protein interactions. Final chapters include case studies and additionally discuss interactions between phytochemicals and Western therapeutics. This book will be useful for scientists involved in environmental research and risk assessment. It will be a valuable resource for postgraduate students and researchers wishing to learn about key methods used in studying biological targets both from a toxicity and pharmacological activity standpoint.

Exam Prep for: Computational Toxicology; Methods and ...

Exam Prep for: Computational Toxicology; Methods and ...
  • Author : Anonim
  • Publisher :Unknown
  • Release Date :2021
  • Total pages :229
  • ISBN : 1230987654XX
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Summary :

Computational Toxicology

Computational Toxicology
  • Author : Brad Reisfeld,Arthur N. Mayeno
  • Publisher :Unknown
  • Release Date :2012-09-26
  • Total pages :613
  • ISBN : 1627030492
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Summary : Rapid advances in computer science, biology, chemistry, and other disciplines are enabling powerful new computational tools and models for toxicology and pharmacology. These computational tools hold tremendous promise for advancing science, from streamlining drug efficacy and safety testing, to increasing the efficiency and effectiveness of risk assessment for environmental chemicals. Computational Toxicology provides biomedical and quantitative scientists with essential background, context, examples, useful tips, and an overview of current developments in the field. Divided into four sections, Volume I covers a wide array of methodologies and topics. Opening with an introduction to the field of computational toxicology and its current and potential applications, the volume continues with ’best practices’ in mathematical and computational modeling, followed by chemoinformatics and the use of computational techniques and databases to predict chemical properties and toxicity, as well as an overview of molecular dynamics. The final section is a compilation of the key elements and main approaches used in pharmacokinetic and pharmacodynamic modeling, including the modeling of absorption, compartment and non-compartmental modeling, physiologically based pharmacokinetic modeling, interspecies extrapolation, and population effects. Written in the successful Methods in Molecular BiologyTM series format where possible, chapters include introductions to their respective topics, lists of the materials and software tools used, methods, and notes on troubleshooting. Authoritative and easily accessible, Computational Toxicology will allow motivated readers to participate in this exciting field and undertake a diversity of realistic problems of interest.

Computational Toxicology

Computational Toxicology
  • Author : Sean Ekins
  • Publisher :Unknown
  • Release Date :2007-07-27
  • Total pages :800
  • ISBN : 0470145889
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Summary : 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.

Big Data in Predictive Toxicology

Big Data in Predictive Toxicology
  • Author : Andrea-Nicole Richarz,Daniel Neagu
  • Publisher :Unknown
  • Release Date :2019-12-10
  • Total pages :394
  • ISBN : 9781839160820
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Summary : The rate at which toxicological data is generated is continually becoming more rapid and the volume of data generated is growing dramatically. This is due in part to advances in software solutions and cheminformatics approaches which increase the availability of open data from chemical, biological and toxicological and high throughput screening resources. However, the amplified pace and capacity of data generation achieved by these novel techniques presents challenges for organising and analysing data output. Big Data in Predictive Toxicology discusses these challenges as well as the opportunities of new techniques encountered in data science. It addresses the nature of toxicological big data, their storage, analysis and interpretation. It also details how these data can be applied in toxicity prediction, modelling and risk assessment. This title is of particular relevance to researchers and postgraduates working and studying in the fields of computational methods, applied and physical chemistry, cheminformatics, biological sciences, predictive toxicology and safety and hazard assessment.

Computational Nanotoxicology

Computational Nanotoxicology
  • Author : Agnieszka Gajewicz,Tomasz Puzyn
  • Publisher :Unknown
  • Release Date :2019-11-13
  • Total pages :552
  • ISBN : 9781000680881
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Summary : The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials (ENMs) has attracted great interest because the application of these methods enables us to fill existing experimental data gaps. However, considering the high degree of complexity and multifunctionality of ENMs, computational methods originally developed for regular chemicals cannot always be applied explicitly in nanotoxicology. This book discusses the current state of the art and future needs in the development of computational modeling techniques for nanotoxicology. It focuses on (i) computational chemistry (quantum mechanics, semi-empirical methods, density functional theory, molecular mechanics, molecular dynamics), (ii) nanochemoinformatic methods (quantitative structure–activity relationship modeling, grouping, read-across), and (iii) nanobioinformatic methods (genomics, transcriptomics, proteomics, metabolomics). It reviews methods of calculating molecular descriptors sufficient to characterize the structure of nanoparticles, specifies recent trends in the validation of computational methods, and discusses ways to cope with the uncertainty of predictions. In addition, it highlights the status quo and further challenges in the application of computational methods in regulation (e.g., REACH, OECD) and in industry for product development and optimization and the future directions for increasing acceptance of computational modeling for nanotoxicology.

Application of Modern Toxicology Approaches for Predicting Acute Toxicity for Chemical Defense

Application of Modern Toxicology Approaches for Predicting Acute Toxicity for Chemical Defense
  • Author : National Academies of Sciences, Engineering, and Medicine,Division on Earth and Life Studies,Board on Life Sciences,Board on Environmental Studies and Toxicology,Committee on Toxicology,Committee on Predictive-Toxicology Approaches for Military Assessments of Acute Exposures
  • Publisher :Unknown
  • Release Date :2015-09-01
  • Total pages :134
  • ISBN : 9780309376693
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Summary : The US Department of Defense (DOD) is faced with an overwhelming task in evaluating chemicals that could potentially pose a threat to its deployed personnel. There are over 84,000 registered chemicals, and testing them with traditional toxicity-testing methods is not feasible in terms of time or money. In recent years, there has been a concerted effort to develop new approaches to toxicity testing that incorporate advances in systems biology, toxicogenomics, bioinformatics, and computational toxicology. Given the advances, DOD asked the National Research Council to determine how DOD could use modern approaches for predicting chemical toxicity in its efforts to prevent debilitating, acute exposures to deployed personnel. This report provides an overall conceptual approach that DOD could use to develop a predictive toxicology system. Application of Modern Toxicology Approaches for Predicting Acute Toxicity for Chemical Defense reviews the current state of computational and high-throughput approaches for predicting acute toxicity and suggests methods for integrating data and predictions. This report concludes with lessons learned from current high-throughput screening programs and suggests some initial steps for DOD investment.

Computational Toxicology

Computational Toxicology
  • Author : Brad Reisfeld,Arthur N. Mayeno
  • Publisher :Unknown
  • Release Date :2012-10-21
  • Total pages :648
  • ISBN : 1627030581
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Summary : Rapid advances in computer science, biology, chemistry, and other disciplines are enabling powerful new computational tools and models for toxicology and pharmacology. These computational tools hold tremendous promise for advancing applied and basic science, from streamlining drug efficacy and safety testing, to increasing the efficiency and effectiveness of risk assessment for environmental chemicals. Computational Toxicology was conceived to provide both experienced and new biomedical and quantitative scientists with essential background, context, examples, useful tips, and an overview of current developments in the field. This two-volume set serves as a resource to help introduce and guide readers in the development and practice of these tools to solve problems and perform analyses in this area. Divided into six sections, Volume II covers a wide array of methodologies and topics. The volume begins by exploring the critical area of predicting toxicological and pharmacological endpoints, as well as approaches used in the analysis of gene, signaling, regulatory, and metabolic networks. The next section focuses on diagnostic and prognostic molecular indicators (biomarkers), followed by the application of modeling in the context of government regulatory agencies. Systems toxicology approaches are also introduced. The volume closes with primers and background on some of the key mathematical and statistical methods covered earlier, as well as a list of other resources. Written in a format consistent with the successful Methods in Molecular BiologyTM series where possible, chapters include introductions to their respective topics, lists of the necessary materials and software tools used, methods, and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, Computational Toxicology will allow motivated readers to participate in this exciting field and undertake a diversity of realistic problems of interest.

Information Resources in Toxicology

Information Resources in Toxicology
  • Author : Steve Gilbert,Asish Mohapatra,Sol Bobst,Antoinette Hayes,Sara T. Humes
  • Publisher :Unknown
  • Release Date :2020-05-15
  • Total pages :808
  • ISBN : 9780128216125
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Summary : This new fifth edition of Information Resources in Toxicology offers a consolidated entry portal for the study, research, and practice of toxicology. Both volumes represents a unique, wide-ranging, curated, international, annotated bibliography, and directory of major resources in toxicology and allied fields such as environmental and occupational health, chemical safety, and risk assessment. The editors and authors are among the leaders of the profession sharing their cumulative wisdom in toxicology’s subdisciplines. This edition keeps pace with the digital world in directing and linking readers to relevant websites and other online tools. Due to the increasing size of the hardcopy publication, the current edition has been divided into two volumes to make it easier to handle and consult. Volume 1: Background, Resources, and Tools, arranged in 5 parts, begins with chapters on the science of toxicology, its history, and informatics framework in Part 1. Part 2 continues with chapters organized by more specific subject such as cancer, clinical toxicology, genetic toxicology, etc. The categorization of chapters by resource format, for example, journals and newsletters, technical reports, organizations constitutes Part 3. Part 4 further considers toxicology’s presence via the Internet, databases, and software tools. Among the miscellaneous topics in the concluding Part 5 are laws and regulations, professional education, grants and funding, and patents. Volume 2: The Global Arena offers contributed chapters focusing on the toxicology contributions of over 40 countries, followed by a glossary of toxicological terms and an appendix of popular quotations related to the field. The book, offered in both print and electronic formats, is carefully structured, indexed, and cross-referenced to enable users to easily find answers to their questions or serendipitously locate useful knowledge they were not originally aware they needed. Among the many timely topics receiving increased emphasis are disaster preparedness, nanotechnology, -omics, risk assessment, societal implications such as ethics and the precautionary principle, climate change, and children’s environmental health. Opens with an overview of the international toxicology scene, organizations and activities involved with both the science and regulatory framework, and a specific look at the European Union’s efforts. Offers an extensive collection of chapters covering over 40 countries and their toxicological infrastructure which includes listings of major books and journals, organizations, professional societies, universities, poison control centers, legislation, and online databases. Provides the Second Edition of the International Union of Pure and Applied Chemistry’s Glossary of Terms Used in Toxicology, a carefully constructed and peer reviewed collation of critical terms in the science. Concludes with a potpourri of quotes concerning toxicology and their use in the arts and popular culture. Paired with Volume One, which offers chapters on a host of toxicology sub-disciplines, this set offers the most comprehensive compendium of print, digital, and organizational resources in the toxicological sciences with over120 chapters contributions by experts and leaders in the field.

Challenges in Endocrine Disruptor Toxicology and Risk Assessment

Challenges in Endocrine Disruptor Toxicology and Risk Assessment
  • Author : Alberto Mantovani,Alexandra Fucic
  • Publisher :Unknown
  • Release Date :2020-12-08
  • Total pages :518
  • ISBN : 9781839160837
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Summary : Insight into the role of hormones, particularly estrogen and testosterone, in health and disease etiology – including interactions with other hormone pathways – has dramatically changed. Estrogen and androgen receptors, with their polymorphisms, are key molecules in all tissues and are involved in a number of homeostatic mechanisms but also pathological processes including carcinogenesis and the development of metabolic and neurological disorders such as diabetes and Alzheimer’s disease. Endocrine disrupting chemicals (EDCs) can interfere with the endocrine (hormone) systems at certain dosages and play a key role in the pathology of disease. Most known EDCs are manmade and are therefore an increasing concern given the number commonly found in household products and the environment. This book will cover the mechanisms of EDC pathology across the spectrum of disease, as well as risk assessment and government and legal regulation to provide a holistic view of the current issues and cutting-edge research in the topic. With contributions from global leaders in the field, this book will be an ideal reference for toxicologists, endocrinologists and researchers interested in developmental biology, regulatory toxicology and the interface between environment and human health.

The History of Alternative Test Methods in Toxicology

The History of Alternative Test Methods in Toxicology
  • Author : Anonim
  • Publisher :Unknown
  • Release Date :2018-10-20
  • Total pages :352
  • ISBN : 9780128136980
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Summary : The History of Alternative Test Methods in Toxicology uses a chronological approach to demonstrate how the use of alternative methods has evolved from their conception as adjuncts to traditional animal toxicity tests to replacements for them. This volume in the History of Toxicology and Environmental Health series explores the history of alternative test development, validation, and use, with an emphasis on humanity and good science, in line with the Three Rs (Replacement,Reduction, Refinement) concept expounded by William Russell and Rex Burch in 1959 in their now classic volume, The Principles of Humane Experimental Technique. The book describes the historical development of technologies that have influenced the application of alternatives in toxicology and safety testing. These range from single cell monocultures to sophisticated, miniaturised and microfluidic organism-on-a-chip devices, and also include molecular modelling, chemoinformatics and QSAR analysis, and the use of stem cells, tissue engineering and hollow fibre bioreactors. This has been facilitated by the wider availability of human tissues, advances in tissue culture, analytical and diagnostic methods, increases in computational processing, capabilities, and a greater understanding of cell biology and molecular mechanisms of toxicity. These technological developments have enhanced the range and information content of the toxicity endpoints detected, and therefore the relevance of test systems and data interpretation, while new techniques for non-invasive diagnostic imaging and high resolution detection methods have permitted an increased role for human studies. Several key examples of how these technologies are being harnessed to meet 21st century safety assessment challenges are provided, including their deployment in integrated testing schemes in conjunction with kinetic modelling, and in specialized areas, such as inhalation toxicity studies. The History of Alternative Test Methods in Toxicology uses a chronological approach to demonstrate how the use of alternative methods has evolved from their conception as adjuncts to traditional animal toxicity tests to replacements for them. This volume in the History of Toxicology and Environmental Health series explores the history of alternative test development, validation, and use, with an emphasis on humanity and good science, in line with the Three Rs (Replacement, Reduction, Refinement) concept expounded by William Russell and Rex Burch in 1959 in their now-classic volume, The Principles of Humane Experimental Technique. The book describes the historical development of technologies that have influenced the application of alternatives in toxicology and safety testing. These range from single cell monocultures to sophisticated miniaturised and microfluidic organism-on-a-chip devices, and also include molecular modelling, chemoinformatics and QSAR analysis, and the use of stem cells, tissue engineering and hollow fibre bioreactors. This has been facilitated by the wider availability of human tissues, advances in tissue culture, analytical and diagnostic methods, increases in computational processing capabilities, and a greater understanding of cell biology and molecular mechanisms of toxicity. These technological developments have enhanced the range and information content of the toxicity endpoints detected, and therefore the relevance of test systems and data interpretation, while new techniques for non-invasive diagnostic imaging and high resolution detection methods have permitted an increased role for human studies. Several key examples of how these technologies are being harnessed to meet 21st century safety assessment challenges are provided, including their deployment in integrated testing schemes in conjunction with kinetic modelling, and in specialised areas, such as inhalation toxicity studies.

In Silico Toxicology

In Silico Toxicology
  • Author : Mark T. D. Cronin,Judith C. Madden
  • Publisher :Unknown
  • Release Date :2010
  • Total pages :669
  • ISBN : 9781849730044
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Summary : In silico methods to predict toxicity are becoming increasingly important, particularly in light of European legislation such as Reach and the Cosmetics Regulation. They are also being used extensively worldwide e.g. in the USA, Canada, Japan and Australia. The objective of In Silico Toxicology: Principles and Applications is to enable the reader to develop new, and use existing, in silico methods to predict the toxicity and fate of chemicals. It develops the theme in a logical sequence leading the use through the retrieval, and assessment of quality, of toxicological data and information; the calculation of descriptors and properties; the basis of statistical techniques for quantitative structure-activity relationships (QSARS); the interpretation and validation of models for regulatory use; the mechanistic basis to modelling; as well as chemical grouping approaches and application of the models for risk assessment. The book also addresses other aspects of in silico toxicology including how to predict both external and internal exposure and the role of in silico approaches in integrated testing strategies. The contributions from recognised leaders in each of these areas include evidence of the use and applicability of approaches using real world case studies concerning both environmental and human health effects. The book is relevant to toxicologists and modellers using in silico toxicological approaches to perform risk assessment for regulatory purposes and product development. Series Editors: D Anderson, University of Bradford, Uk MD Waters, ILS, N Carolina, USA TC Marrs, Edentox Associates, Kent, UK The field of toxicological research is continually expanding and diversifying driven by the need to understand the human and ecological risks of exposure to chemicals and other toxicants. This series is devoted to coverage of modern toxicology and assessment of risk and is responding to the resurgence in interest in the of scientific investigation.