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Quantitative Modeling in Toxicology

Quantitative Modeling in Toxicology
Author: Kannan Krishnan
Publisher: John Wiley & Sons
Total Pages: 504
Release: 2010-04-01
Genre: Science
ISBN: 0470686707

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Governments around the world are passing laws requiring industry to assess the toxicity of the chemicals and products they produce, but to do so while reducing, refining, or even replacing testing on animals. To meet these requirements, experimental toxicologists and risk assessors are adopting quantitative approaches and computer simulations to study the biological fate and effects of chemicals and drugs. In Quantitative Modeling in Toxicology leading experts outline the current state of knowledge on the modeling of dose, tissue interactions and tissue responses. Each chapter describes the mathematical foundation, parameter estimation, challenges and perspectives for development, along with the presentation of a modeling template. Additionally, tools and approaches for conducting uncertainty, sensitivity and variability analyses in these models are described. Topics covered include: the quantitative models of pharmacokinetics of individual chemicals and mixtures models for toxicant-target tissue interaction. models for cellular, organ, and organism responses. approaches, tools and challenges for model application and evaluation A website containing computer codes accompanies the book to help the reader reconstruct the models described and discussed in the various chapters. Quantitative Modeling in Toxicology serves as an essential reference source and tool box for risk assessors and researchers and students in toxicology, public health, pharmacology, and human toxicology interested in developing quantitative models for a better understanding of dose-response relationships.


Statistical Models in Toxicology

Statistical Models in Toxicology
Author: Mehdi Razzaghi
Publisher: CRC Press
Total Pages: 162
Release: 2020-05-21
Genre: Mathematics
ISBN: 0429532350

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Statistical Models in Toxicology presents an up-to-date and comprehensive account of mathematical statistics problems that occur in toxicology. This is as an exciting time in toxicology because of the attention given by statisticians to the problem of estimating the human health risk for environmental and occupational exposures. The development of modern statistical techniques with solid mathematical foundations in the 20th century and the advent of modern computers in the latter part of the century gave way to development of many statistical models and methods to describe toxicological processes and attempts to solve the associated problems. Not only have the models enjoyed a high level of elegance and sophistication mathematically, they are widely used by industry and government regulatory agencies. Features: Focuses on describing the statistical models in environmental toxicology that facilitate the assessment of risk mainly in humans. The properties and shortfalls of each model are discussed and its impact in the process of risk assessment is examined. Discusses models that assess the risk of mixtures of chemicals. Presents statistical models that are developed for risk estimation in different aspects of environmental toxicology including cancer and carcinogenic substances. Includes models for developmental and reproductive toxicity risk assessment, risk assessment in continuous outcomes and developmental neurotoxicity. Contains numerous examples and exercises. Statistical Models in Toxicology introduces a wide variety of statistical models that are currently utilized for dose-response modeling and risk analysis. These models are often developed based on design and regulatory guidelines of toxicological experiments. The book is suitable for practitioners or as use as a textbook for advanced undergraduate or graduate students of mathematics and statistics.


Chemometrics and Cheminformatics in Aquatic Toxicology

Chemometrics and Cheminformatics in Aquatic Toxicology
Author: Kunal Roy
Publisher: John Wiley & Sons
Total Pages: 596
Release: 2022-01-06
Genre: Science
ISBN: 1119681596

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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

Computational Toxicology
Author: Patricia Ruiz
Publisher: Elsevier Inc. Chapters
Total Pages: 30
Release: 2013-06-04
Genre: Medical
ISBN: 0128060433

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Human health risk assessment is “the process to estimate the nature and probability of adverse health effects in humans who may be exposed to chemicals in contaminated environmental media, now or in the future.” Currently, most data required for human risk assessment are derived from toxicological studies conducted in laboratory animals. The “Toxicology in the 21st Century” initiative expands the toxicity testing tools to include the development of alternative toxicity testing methods that examine pathways of toxicity (on a large scale) and the employment of dose-response and extrapolation modeling tools. While the latter methodology is in its infancy, several methodologies for dose-response and extrapolation modeling are more mature. Over the last decade, physiologically based pharmacokinetic (PBPK) modeling has gained acceptance as a computational tool for use in public health assessments. In this chapter, we present examples of quantitative structure-activity relationship (QSAR) models, physiologically based pharmacokinetic (PBPK) models, and biologically based dose response (BBDR) models that have been developed for use in public health assessments and advancing knowledge gained through in silico examinations of biological systems.


Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment

Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment
Author: Roy, Kunal
Publisher: IGI Global
Total Pages: 727
Release: 2015-02-28
Genre: Technology & Engineering
ISBN: 1466681373

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Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.


Statistical Models in Toxicology

Statistical Models in Toxicology
Author: Mehdi Razzaghi
Publisher: CRC Press
Total Pages: 300
Release: 2020-04-28
Genre:
ISBN: 9781498772570

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Statistical Models in Toxicology presents an up-to-date and comprehensive account of mathematical statistics problems that occur in toxicology. This is as an exciting time in toxicology because of the attention given by statisticians to the problem of estimating the human health risk for environmental and occupational exposures. The development of modern statistical techniques with solid mathematical foundations in the 20th century and the advent of modern computers in the latter part of the century gave way to development of many statistical models and methods to describe toxicological processes and attempts to solve the associated problems. Not only have the models enjoyed a high level of elegance and sophistication mathematically, they are widely used by industry and government regulatory agencies. Features: Focuses on describing the statistical models in environmental toxicology that facilitate the assessment of risk mainly in humans. The properties and shortfalls of each model are discussed and its impact in the process of risk assessment is examined. Discusses models that assess the risk of mixtures of chemicals. Presents statistical models that are developed for risk estimation in different aspects of environmental toxicology including cancer and carcinogenic substances. Includes models for developmental and reproductive toxicity risk assessment, risk assessment in continuous outcomes and developmental neurotoxicity. Contains numerous examples and exercises. Statistical Models in Toxicology introduces a wide variety of statistical models that are currently utilized for dose-response modeling and risk analysis. These models are often developed based on design and regulatory guidelines of toxicological experiments. The book is suitable for practitioners or as use as a textbook for advanced undergraduate or graduate students of mathematics and statistics.


Biological Concepts and Techniques in Toxicology

Biological Concepts and Techniques in Toxicology
Author: Jim E. Riviere
Publisher: CRC Press
Total Pages: 412
Release: 2006-03-06
Genre: Medical
ISBN: 1420018442

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Highlighting the latest advances in molecular biology, mathematical modeling, quantitative risk assessment, and biopharmaceutical development, this reference presents how current scientific applications and methods impact and revolutionize mainstream toxicological research. Presenting findings from disciplines that will impact the future of toxicol


Drug Design Strategies

Drug Design Strategies
Author: David J. Livingstone
Publisher: Royal Society of Chemistry
Total Pages: 517
Release: 2012
Genre: Medical
ISBN: 1849731667

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This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.


Developing Network-Based Systems Toxicology by Combining Transcriptomics Data with Literature Mining and Multiscale Quantitative Modeling

Developing Network-Based Systems Toxicology by Combining Transcriptomics Data with Literature Mining and Multiscale Quantitative Modeling
Author: Alain Sewer
Publisher:
Total Pages:
Release: 2018
Genre: Medicine
ISBN:

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We describe how the genome-wide transcriptional profiling can be used in network-based systems toxicology, an approach leveraging biological networks for assessing the health risks of exposure to chemical compounds. Driven by the technological advances changing the ways in which data are generated, systems toxicology has allowed traditional toxicity endpoints to be enhanced with far deeper levels of analysis. In combination, new experimental and computational methods have offered the potential for more effective, efficient, and reliable toxicological testing strategies. We illustrate these advances by the "network perturbation amplitude" methodology that quantifies the effects of exposure treatments on biological mechanisms represented by causal networks. We also describe recent developments in the assembly of high-quality causal biological networks using crowdsourcing and text-mining approaches. We further show how network-based approaches can be integrated into the multiscale modeling framework of response to toxicological exposure. Finally, we combine biological knowledge assembly and multiscale modeling to report on the promising developments of the "quantitative adverse outcome pathway" concept, which spans multiple levels of biological organization, from molecules to population, and has direct relevance in the context of the "Toxicity Testing in the 21st century" vision of the US National Research Council.


Computational Toxicology

Computational Toxicology
Author: Sean Ekins
Publisher: John Wiley & Sons
Total Pages: 450
Release: 2018-02-13
Genre: Science
ISBN: 111928256X

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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