Computational Toxicology

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Publisher : Wiley-Interscience
ISBN 13 : 9780470049624
Total Pages : 0 pages
Book Rating : 4.0/5 (496 download)

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Book Synopsis Computational Toxicology by : Sean Ekins

Download or read book Computational Toxicology written by Sean Ekins and published by Wiley-Interscience. This book was released on 2007-06-29 with total page 0 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.

Computational Toxicology

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Publisher : John Wiley & Sons
ISBN 13 : 111928256X
Total Pages : 450 pages
Book Rating : 4.1/5 (192 download)

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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 2018-02-13 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Computational Toxicology

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Publisher : Academic Press
ISBN 13 : 012396508X
Total Pages : 274 pages
Book Rating : 4.1/5 (239 download)

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Book Synopsis Computational Toxicology by : Bruce A. Fowler

Download or read book Computational Toxicology written by Bruce A. Fowler and published by Academic Press. This book was released on 2013-06-04 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Systems Toxicology

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Publisher : Humana
ISBN 13 : 9781493927777
Total Pages : 0 pages
Book Rating : 4.9/5 (277 download)

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Book Synopsis Computational Systems Toxicology by : Julia Hoeng

Download or read book Computational Systems Toxicology written by Julia Hoeng and published by Humana. This book was released on 2015-09-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This detailed volume explores key state-of-the-art computational applications that are crucial in Systems Toxicology. The recent technological developments in experimental biology and multi-omics measurements that enable Systems Biology and Systems Toxicology can only be fully leveraged by the application of a broad range of computational approaches ranging from data management to mathematical modeling. Taking this into account, chapters in this book cover data management and processing, data analysis, biological network building and analysis, as well as the application of computational methods to toxicological assessment. Written for the Methods in Pharmacology and Toxicology series, Computational Systems Toxicology includes the kind of key practical advice that will aid readers in furthering our knowledge of toxic substances and reactions to them.

Computational Methods for Reproductive and Developmental Toxicology

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Publisher : CRC Press
ISBN 13 : 1439861080
Total Pages : 330 pages
Book Rating : 4.4/5 (398 download)

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Book Synopsis Computational Methods for Reproductive and Developmental Toxicology by : Donald R. Mattison

Download or read book Computational Methods for Reproductive and Developmental Toxicology written by Donald R. Mattison and published by CRC Press. This book was released on 2015-12-02 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Building from the perspective of reproductive and developmental biology, Computational Methods for Reproductive and Developmental Toxicology provides a timely and comprehensive overview of approaches in reproductive and developmental toxicology. The book, which is part of the QSAR in Environmental and Health Sciences series, is divided into three broad sections. The first provides a review of methods and approaches to meet the need for safety assessments in product development and regulatory approaches for environmental chemicals. The next one reviews the biological processes and endpoints involved in reproduction and development. The final and largest section summarizes protocols for evaluating biological processes and endpoints within reproduction and development. It also discusses informatics resources and computational methods. The book takes a cross-disciplinary approach bringing together developmental, reproductive and systems biology, chemistry, toxicology, pharmacology, biostatistics, information sciences, bioinformatics, and computational approaches. This valuable resource provides those in the field with the necessary knowledge to evaluate both classic and recent approaches to characterize toxicity.

Nanotoxicology

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Publisher : Royal Society of Chemistry
ISBN 13 : 178262158X
Total Pages : 380 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Nanotoxicology by : Alok Dhawan

Download or read book Nanotoxicology written by Alok Dhawan and published by Royal Society of Chemistry. This book was released on 2017-11-13 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book fills the significant nanotoxicology and nanosafety knowledge gaps and covers a broad range of topics. It targets postgraduates, academics, and practicing industrialists.

Advances in Computational Toxicology

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Publisher : Springer
ISBN 13 : 3030164438
Total Pages : 412 pages
Book Rating : 4.0/5 (31 download)

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Book Synopsis Advances in Computational Toxicology by : Huixiao Hong

Download or read book Advances in Computational Toxicology written by Huixiao Hong and published by Springer. This book was released on 2019-05-21 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 0470145889
Total Pages : 855 pages
Book Rating : 4.4/5 (71 download)

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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.

Chemometrics and Cheminformatics in Aquatic Toxicology

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Publisher : John Wiley & Sons
ISBN 13 : 1119681596
Total Pages : 596 pages
Book Rating : 4.1/5 (196 download)

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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.

In Silico Toxicology

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Publisher : Royal Society of Chemistry
ISBN 13 : 1849730040
Total Pages : 689 pages
Book Rating : 4.8/5 (497 download)

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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.

Predictive Toxicology

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Publisher : CRC Press
ISBN 13 : 0849350352
Total Pages : 520 pages
Book Rating : 4.8/5 (493 download)

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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 520 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 to characterize chemical structures and biological systems—covering prediction methods and algorithms, sources of high-quality toxicity data, the most important commercial and noncommercial predictive toxicology programs, and advanced technologies in computational chemistry and biology, statistics, and data mining.

Toxicity Testing in the 21st Century

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Publisher : National Academies Press
ISBN 13 : 0309151732
Total Pages : 217 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Toxicity Testing in the 21st Century by : National Research Council

Download or read book Toxicity Testing in the 21st Century written by National Research Council and published by National Academies Press. This book was released on 2007-11-05 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in molecular biology and toxicology are paving the way for major improvements in the evaluation of the hazards posed by the large number of chemicals found at low levels in the environment. The National Research Council was asked by the U.S. Environmental Protection Agency to review the state of the science and create a far-reaching vision for the future of toxicity testing. The book finds that developing, improving, and validating new laboratory tools based on recent scientific advances could significantly improve our ability to understand the hazards and risks posed by chemicals. This new knowledge would lead to much more informed environmental regulations and dramatically reduce the need for animal testing because the new tests would be based on human cells and cell components. Substantial scientific efforts and resources will be required to leverage these new technologies to realize the vision, but the result will be a more efficient, informative and less costly system for assessing the hazards posed by industrial chemicals and pesticides.

A Framework to Guide Selection of Chemical Alternatives

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Publisher : National Academies Press
ISBN 13 : 0309310164
Total Pages : 280 pages
Book Rating : 4.3/5 (93 download)

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Book Synopsis A Framework to Guide Selection of Chemical Alternatives by : National Research Council

Download or read book A Framework to Guide Selection of Chemical Alternatives written by National Research Council and published by National Academies Press. This book was released on 2014-10-29 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: Historically, regulations governing chemical use have often focused on widely used chemicals and acute human health effects of exposure to them, as well as their potential to cause cancer and other adverse health effects. As scientific knowledge has expanded there has been an increased awareness of the mechanisms through which chemicals may exert harmful effects on human health, as well as their effects on other species and ecosystems. Identification of high-priority chemicals and other chemicals of concern has prompted a growing number of state and local governments, as well as major companies, to take steps beyond existing hazardous chemical federal legislation. Interest in approaches and policies that ensure that any new substances substituted for chemicals of concern are assessed as carefully and thoroughly as possible has also burgeoned. The overarching goal of these approaches is to avoid regrettable substitutions, which occur when a toxic chemical is replaced by another chemical that later proved unsuitable because of persistence, bioaccumulation, toxicity, or other concerns. Chemical alternative assessments are tools designed to facilitate consideration of these factors to assist stakeholders in identifying chemicals that may have the greatest likelihood of harm to human and ecological health, and to provide guidance on how the industry may develop and adopt safer alternatives. A Framework to Guide Selection of Chemical Alternatives develops and demonstrates a decision framework for evaluating potentially safer substitute chemicals as primarily determined by human health and ecological risks. This new framework is informed by previous efforts by regulatory agencies, academic institutions, and others to develop alternative assessment frameworks that could be operationalized. In addition to hazard assessments, the framework incorporates steps for life-cycle thinking - which considers possible impacts of a chemical at all stages including production, use, and disposal - as well as steps for performance and economic assessments. The report also highlights how modern information sources such as computational modeling can supplement traditional toxicology data in the assessment process. This new framework allows the evaluation of the full range of benefits and shortcomings of substitutes, and examination of tradeoffs between these risks and factors such as product functionality, product efficacy, process safety, and resource use. Through case studies, this report demonstrates how different users in contrasting decision contexts with diverse priorities can apply the framework. This report will be an essential resource to the chemical industry, environmentalists, ecologists, and state and local governments.

Computational Toxicology

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Publisher :
ISBN 13 : 9781627030502
Total Pages : 613 pages
Book Rating : 4.0/5 (35 download)

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Book Synopsis Computational Toxicology by : Brad Reisfeld

Download or read book Computational Toxicology written by Brad Reisfeld and published by . This book was released on 2012 with total page 613 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Systems Pharmacology and Toxicology

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Publisher : Royal Society of Chemistry
ISBN 13 : 1782623736
Total Pages : 332 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Computational Systems Pharmacology and Toxicology by : Rudy J Richardson

Download or read book Computational Systems Pharmacology and Toxicology written by Rudy J Richardson and published by Royal Society of Chemistry. This book was released on 2017-03-01 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Toxicology

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Author :
Publisher : Humana Press
ISBN 13 : 9781493958979
Total Pages : 612 pages
Book Rating : 4.9/5 (589 download)

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Book Synopsis Computational Toxicology by : Brad Reisfeld

Download or read book Computational Toxicology written by Brad Reisfeld and published by Humana Press. This book was released on 2016-08-23 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Science and Decisions

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Publisher : National Academies Press
ISBN 13 : 0309120462
Total Pages : 422 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Science and Decisions by : National Research Council

Download or read book Science and Decisions written by National Research Council and published by National Academies Press. This book was released on 2009-03-24 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: Risk assessment has become a dominant public policy tool for making choices, based on limited resources, to protect public health and the environment. It has been instrumental to the mission of the U.S. Environmental Protection Agency (EPA) as well as other federal agencies in evaluating public health concerns, informing regulatory and technological decisions, prioritizing research needs and funding, and in developing approaches for cost-benefit analysis. However, risk assessment is at a crossroads. Despite advances in the field, risk assessment faces a number of significant challenges including lengthy delays in making complex decisions; lack of data leading to significant uncertainty in risk assessments; and many chemicals in the marketplace that have not been evaluated and emerging agents requiring assessment. Science and Decisions makes practical scientific and technical recommendations to address these challenges. This book is a complement to the widely used 1983 National Academies book, Risk Assessment in the Federal Government (also known as the Red Book). The earlier book established a framework for the concepts and conduct of risk assessment that has been adopted by numerous expert committees, regulatory agencies, and public health institutions. The new book embeds these concepts within a broader framework for risk-based decision-making. Together, these are essential references for those working in the regulatory and public health fields.