Computational Systems Pharmacology And Toxicology
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Computational Systems Pharmacology And Toxicology
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Author : Rudy J Richardson
language : en
Publisher: Royal Society of Chemistry
Release Date : 2017-03-03
Computational Systems Pharmacology And Toxicology written by Rudy J Richardson and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-03-03 with Medical categories.
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 Systems Toxicology
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Author : Julia Hoeng
language : en
Publisher: Humana
Release Date : 2016-10-29
Computational Systems Toxicology written by Julia Hoeng and has been published by Humana this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-10-29 with Medical categories.
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 Systems Toxicology
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Author : Julia Hoeng
language : en
Publisher: Humana
Release Date : 2015-09-14
Computational Systems Toxicology written by Julia Hoeng and has been published by Humana this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-09-14 with Medical categories.
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 Toxicology
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Author : Sean Ekins
language : en
Publisher: John Wiley & Sons
Release Date : 2007-06-30
Computational Toxicology written by Sean Ekins and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-06-30 with Science categories.
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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Author : Brad Reisfeld
language : en
Publisher: Humana Press
Release Date : 2012-10-21
Computational Toxicology written by Brad Reisfeld and has been published by Humana Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-10-21 with Medical categories.
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.
Computational Toxicology
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Author : Sean Ekins
language : en
Publisher: John Wiley & Sons
Release Date : 2018-02-13
Computational Toxicology written by Sean Ekins and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-02-13 with Science categories.
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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Author : Nigel Greene
language : en
Publisher: Elsevier Inc. Chapters
Release Date : 2013-06-04
Computational Toxicology written by Nigel Greene and has been published by Elsevier Inc. Chapters this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-04 with Medical categories.
The costs of developing new drugs continue to rise while public and governmental expectations demand safer drugs. This demand for safer drugs can also significantly delay the time it takes to reach the market, as screening for drug safety can be a time-consuming process. In order to reduce costs and timelines while increasing safety, pharmaceutical firms have incorporated predictive methodologies to identify potential safety issues before a new drug is given to patients or even before a compound is tested in animals. Initial predictive efforts have focused on using compound structure to predict toxicity. This work has led to a number of successes in the ability to predict genotoxicity and carcinogenicity. In this chapter, we describe some of the methods used in pharmaceuticals to predict these adverse effects as well as methodologies used to predict organ-specific toxicity such as drug-induced liver injury, a major risk for new drugs. More recently, pharmaceuticals have begun to consider gene information when predicting toxicities. Activity against major risk genes such as the hERG is now routinely used to identify some risks. Finally, we discuss some approaches being developed to predict and/or categorize risk using gene, protein, or metabolite changes.
Computational Toxicology
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Author : Bruce A. Fowler
language : en
Publisher: Academic Press
Release Date : 2013-06-04
Computational Toxicology written by Bruce A. Fowler and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-04 with Computers categories.
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
Advances In Computational Toxicology
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Author : Huixiao Hong
language : en
Publisher: Springer
Release Date : 2019-05-21
Advances In Computational Toxicology written by Huixiao Hong and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-05-21 with Science categories.
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 Systems Pharmacology And Toxicology
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Author : Rudy J Richardson
language : en
Publisher: Royal Society of Chemistry
Release Date : 2017-03-01
Computational Systems Pharmacology And Toxicology written by Rudy J Richardson and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-03-01 with Science categories.
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.