Advances In Computational Toxicology

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Advances in Computational Toxicology

Author : Huixiao Hong
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.

Advances in Computational Toxicology

Author : Huixiao Hong
Publisher :
ISBN 13 : 9783030164447
Total Pages : 416 pages
Book Rating : 4.1/5 (644 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 . This book was released on 2019 with total page 416 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

Author : Sean Ekins
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

Author : Sean Ekins
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

Author : Brad Reisfeld
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 Toxicology

Author : Brad Reisfeld
Publisher : Humana Press
ISBN 13 : 9781493963263
Total Pages : 662 pages
Book Rating : 4.9/5 (632 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 2016-05-01 with total page 662 pages. Available in PDF, EPUB and Kindle. Book excerpt: This resource features essential background, context, examples, useful tips, and an overview of current developments in the field. It includes cutting-edge methods and protocols as well as implementation advice from the experts.

Chemometrics and Cheminformatics in Aquatic Toxicology

Author : Kunal Roy
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.

Computational Toxicology

Author : Brad Reisfeld
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.

Toxicity Testing in the 21st Century

Author : National Research Council
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.

Predictive Toxicology

Author : Christoph Helma
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.

Computational Toxicology

Author : Luis G. Valerio
Publisher : Elsevier Inc. Chapters
ISBN 13 : 0128060476
Total Pages : 274 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Computational Toxicology by : Luis G. Valerio

Download or read book Computational Toxicology written by Luis G. Valerio and published by Elsevier Inc. Chapters. This book was released on 2013-06-04 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Author : Rudy J Richardson
Publisher : Royal Society of Chemistry
ISBN 13 : 1782623329
Total Pages : 348 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 2017-03-03 with total page 348 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.

Recent Advances in QSAR Studies

Author : Tomasz Puzyn
Publisher : Springer Science & Business Media
ISBN 13 : 1402097832
Total Pages : 428 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Recent Advances in QSAR Studies by : Tomasz Puzyn

Download or read book Recent Advances in QSAR Studies written by Tomasz Puzyn and published by Springer Science & Business Media. This book was released on 2010-01-19 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.

Big Data in Predictive Toxicology

Author : Daniel Neagu
Publisher : Royal Society of Chemistry
ISBN 13 : 1839160829
Total Pages : 289 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Big Data in Predictive Toxicology by : Daniel Neagu

Download or read book Big Data in Predictive Toxicology written by Daniel Neagu and published by Royal Society of Chemistry. This book was released on 2019-12-04 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Application of Computational Techniques in Pharmacy and Medicine

Author : Leonid Gorb
Publisher : Springer
ISBN 13 : 9401792577
Total Pages : 550 pages
Book Rating : 4.4/5 (17 download)

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Book Synopsis Application of Computational Techniques in Pharmacy and Medicine by : Leonid Gorb

Download or read book Application of Computational Techniques in Pharmacy and Medicine written by Leonid Gorb and published by Springer. This book was released on 2014-11-07 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: The proposed volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions, the different properties of drugs (including the calculation and the design of new ones), and the creation of completely new ways of treating numerical diseases. Whenever it is possible, the interplay between theory and experiment is provided. The book features computational techniques such as quantum-chemical and molecular dynamic approaches and quantitative structure–activity relationships. The initial chapters describe the state-of-the art research on the computational investigations in molecular biology, molecular pharmacy, and molecular medicine performed with the use of pure quantum-chemical techniques. The central part of the book illustrates the status of computational techniques that utilize hybrid, so called QM/MM approximations as well as the results of the QSAR studies which now are the most popular in predicting drugs’ efficiency. The last chapters describe combined computational and experimental investigations.

Encyclopedia of Toxicology

Author : Bruce Anderson
Publisher : Elsevier
ISBN 13 : 0080548008
Total Pages : 9894 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Encyclopedia of Toxicology by : Bruce Anderson

Download or read book Encyclopedia of Toxicology written by Bruce Anderson and published by Elsevier. This book was released on 2005-05-31 with total page 9894 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of the Encyclopedia of Toxicology continues its comprehensive survey of toxicology. This new edition continues to present entries devoted to key concepts and specific chemicals. There has been an increase in entries devoted to international organizations and well-known toxic-related incidents such as Love Canal and Chernobyl. Along with the traditional scientifically based entries, new articles focus on the societal implications of toxicological knowledge including environmental crimes, chemical and biological warfare in ancient times, and a history of the U.S. environmental movement. With more than 1150 entries, this second edition has been expanded in length, breadth and depth, and provides an extensive overview of the many facets of toxicology. Also available online via ScienceDirect – featuring extensive browsing, searching, and internal cross-referencing between articles in the work, plus dynamic linking to journal articles and abstract databases, making navigation flexible and easy. For more information, pricing options and availability visit www.info.sciencedirect.com. *Second edition has been expanded to 4 volumes *Encyclopedic A-Z arrangement of chemicals and all core areas of the science of toxicology *Covers related areas such as organizations, toxic accidents, historical and social issues, and laws *New topics covered include computational toxicology, cancer potency factors, chemical accidents, non-lethal chemical weapons, drugs of abuse, and consumer products and many more!

Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology

Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 0309065771
Total Pages : 235 pages
Book Rating : 4.3/5 (9 download)

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Book Synopsis Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology by : National Research Council

Download or read book Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology written by National Research Council and published by National Academies Press. This book was released on 1999-10-01 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.