Quantitative Modeling in Toxicology
Quantitative Modeling in Toxicology

Author: Kannan Krishnan

Publisher: John Wiley & Sons

Published: 2010-04-01

Total Pages: 504

ISBN-13: 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

Published: 2020-05-21

Total Pages: 162

ISBN-13: 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.

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

Published: 2015-02-28

Total Pages: 727

ISBN-13: 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.

Computational Toxicology
Computational Toxicology

Author: Patricia Ruiz

Publisher: Elsevier Inc. Chapters

Published: 2013-06-04

Total Pages: 30

ISBN-13: 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.

Chemometrics and Cheminformatics in Aquatic Toxicology
Chemometrics and Cheminformatics in Aquatic Toxicology

Author: Kunal Roy

Publisher: John Wiley & Sons

Published: 2022-01-06

Total Pages: 596

ISBN-13: 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.

Biological Concepts and Techniques in Toxicology
Biological Concepts and Techniques in Toxicology

Author: Jim E. Riviere

Publisher: CRC Press

Published: 2006-03-06

Total Pages: 412

ISBN-13: 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

Statistical Models in Toxicology
Statistical Models in Toxicology

Author: Mehdi Razzaghi

Publisher: CRC Press

Published: 2020-05-21

Total Pages: 287

ISBN-13: 1498772587

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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.

Computational Toxicology
Computational Toxicology

Author: Brad Reisfeld

Publisher: Humana Press

Published: 2016-08-23

Total Pages: 612

ISBN-13: 9781493958979

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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.

Bioinformatics in the Era of Post Genomics and Big Data
Bioinformatics in the Era of Post Genomics and Big Data

Author: Ibrokhim Y. Abdurakhmonov

Publisher: BoD – Books on Demand

Published: 2018-06-20

Total Pages: 190

ISBN-13: 1789232686

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Bioinformatics has evolved significantly in the era of post genomics and big data. Huge advancements were made toward storing, handling, mining, comparing, extracting, clustering and analysis as well as visualization of big macromolecular data using novel computational approaches, machine and deep learning methods, and web-based server tools. There are extensively ongoing world-wide efforts to build the resources for regional hosting, organized and structured access and improving the pre-existing bioinformatics tools to efficiently and meaningfully analyze day-to-day increasing big data. This book intends to provide the reader with updates and progress on genomic data analysis, data modeling and network-based system tools.

Computational Toxicology
Computational Toxicology

Author: Brad Reisfeld

Publisher:

Published: 2012

Total Pages: 613

ISBN-13: 9781627030502

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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.