Quantitative Modeling In Toxicology
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| Author | : Kannan Krishnan |
| Publisher | : John Wiley & Sons |
| Total Pages | : 504 |
| Release | : 2010-04-01 |
| Genre | : Science |
| ISBN | : 0470686707 |
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.
| Author | : Mehdi Razzaghi |
| Publisher | : CRC Press |
| Total Pages | : 182 |
| Release | : 2020-05-21 |
| Genre | : Mathematics |
| ISBN | : 0429532350 |
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.
| Author | : Roy, Kunal |
| Publisher | : IGI Global |
| Total Pages | : 727 |
| Release | : 2015-02-28 |
| Genre | : Technology & Engineering |
| ISBN | : 1466681373 |
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.
| Author | : Kunal Roy |
| Publisher | : John Wiley & Sons |
| Total Pages | : 596 |
| Release | : 2022-01-06 |
| Genre | : Science |
| ISBN | : 1119681596 |
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.
| Author | : Sean Ekins |
| Publisher | : John Wiley & Sons |
| Total Pages | : 450 |
| Release | : 2018-02-13 |
| Genre | : Science |
| ISBN | : 111928256X |
Dieses Buch ist ein wichtiges Referenzwerk für Toxikologen in vielen Bereichen und bietet eine umfassende Analyse molekular Modellansätze und Strategien der Risikobewertung von pharmazeutischen und Umweltchemikalien. - Zeigt, was mit rechnergestützter Toxikologie aktuell erreicht werden kann, und wirft einen Blick auf zukünftige Entwicklungen. - Gibt Antworten zu Themen wie Datenquellen, Datenpflege, Behandlung, Modellierung und Interpretation kritischer Endpunkte im Hinblick auf Gefahrenbewertungen im 21. Jahrhundert. - Bündelt herausragende Konzepte und das Wissen führender Autoren in einem einzigartigen Referenzwerk. - Untersucht detailliert QSAR-Modelle, Eigenschaften physiochemischer Arzneistoffe, strukturbasiertes Drug Targeting, die Bewertung chemischer Mischungen und Umweltmodelle. - Behandelt zusätzlich die Sicherheitsbewertung von Verbraucherprodukten und den Bereich chemische Abwehr und bietet Kapitel zu Open-Source-Toxikologie und Big Data.
| Author | : Jeffrey W. Fisher |
| Publisher | : Academic Press |
| Total Pages | : 348 |
| Release | : 2020-05-20 |
| Genre | : Medical |
| ISBN | : 0128196823 |
Physiologically Based Pharmacokinetic (PBPK) Modeling: Methods and Applications in Toxicology and Risk Assessment presents foundational principles, advanced techniques and applications of PBPK modeling. Contributions from experts in PBPK modeling cover topics such as pharmacokinetic principles, classical physiological models, the application of physiological models for dose-response and risk assessment, the use of in vitro information, and in silico methods. With end-of-chapter exercises that allow readers to practice and learn the skills associated with PBPK modeling, dose-response, and its applications to safety and risk assessments, this book is a foundational resource that provides practical coverage of PBPK modeling for graduate students, academics, researchers, and more. - Provides end-of-chapter exercises to teach hands-on computational tools used in toxicology - Supplies computer code and explanations and includes examples of applied models used in regulatory toxicology and research - Authored by expert editors and contributors who are among the best PBPK modelers in the world
| Author | : Jim E. Riviere |
| Publisher | : CRC Press |
| Total Pages | : 412 |
| Release | : 2006-03-06 |
| Genre | : Medical |
| ISBN | : 1420018442 |
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
| Author | : Donald E. Mager |
| Publisher | : Springer |
| Total Pages | : 512 |
| Release | : 2016-11-29 |
| Genre | : Medical |
| ISBN | : 3319445340 |
While systems biology and pharmacodynamics have evolved in parallel, there are significant interrelationships that can enhance drug discovery and enable optimized therapy for each patient. Systems pharmacology is the relatively new discipline that is the interface between these two methods. This book is the first to cover the expertise from systems biology and pharmacodynamics researchers, describing how systems pharmacology may be developed and refined further to show practical applications in drug development. There is a growing awareness that pharmaceutical companies should reduce the high attrition in the pipeline due to insufficient efficacy or toxicity found in proof-of-concept and/or Phase II studies. Systems Pharmacology and Pharmacodynamics discusses the framework for integrating information obtained from understanding physiological/pathological pathways (normal body function system vs. perturbed system due to disease) and pharmacological targets in order to predict clinical efficacy and adverse events through iterations between mathematical modeling and experimentation.
| Author | : Mark T.D. Cronin |
| Publisher | : CRC Press |
| Total Pages | : 474 |
| Release | : 2004-05-10 |
| Genre | : Science |
| ISBN | : 9780203642627 |
Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives.
| Author | : Christoph Helma |
| Publisher | : CRC Press |
| Total Pages | : 522 |
| Release | : 2005-03-17 |
| Genre | : Medical |
| ISBN | : 0849350352 |
A comprehensive overview of techniques and systems currently utilized in predictive toxicology, this reference presents an in-depth survey of strategies, algorithms, and prediction methods to select, calculate, and represent the features and properties of chemical structures in biological systems. It provides sources of high-quality toxicity data, the most important commercial and noncommercial predictive toxicology programs, and advanced technologies in computational chemistry, biology, statistics, and data mining. Predictive Toxicology explores applications that go beyond classical structure-activity relationships and discusses programs such as OncoLogic, META, MC4PC, PASS, and lazar.
