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MORE ABOUT THIS BOOK
Main description:
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 Biology (TM) 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.
Contents:
Part I. Introduction
1. What is Computational Toxicology?
Brad Reisfeld and Arthur N. Mayeno
2. Computational Toxicology - Application in Environmental Chemicals
Yu-Mei Tan, Rory Conolly, Daniel Chang, Rogelio Tornero-Velez, Michael-R. Goldsmith, Shane D. Peterson, and Curtis Dary
3. Role of Computational Methods in Pharmaceutical Sciences
Sandhya Kortagere, Markus Lill, and John Kerrigan
Part II. Mathematical and Computational Modeling
4. Best Practices in Mathematical Modeling
Lisette G. de Pillis and Ami E. Radunskaya
5. Tools and Techniques
Arthur N. Mayeno and Brad Reisfeld
Part III. Cheminformatics and Chemical Property Prediction
6. Prediction of Physicochemical Properties
John C. Dearden
7. Informing Mechanistic Toxicology with Computational Molecular Models
Michael-R. Goldsmith, Shane D. Peterson, Daniel T. Chang, Thomas R. Transue, Rogelio Tornero-Velez, Yu-Mei Tan, and Curtis C. Dary
8. Chemical Structure Representations and Applications in Computational Toxicity
M. Karthikeyan and Renu Vyas
9. Accessing and Using Chemical Property Databases
Janna Hastings, Zara Josephs, and Christoph Steinbeck
10. Accessing, Using and Creating Chemical Property Databases for Computational Toxicology Modeling
Antony J. Williams, Sean Ekins, Ola Spjuth, and Egon L. Willighagen
11. Molecular Dynamics
Xiaolin Cheng and Ivaylo Ivanov
Part IV. Pharmacokinetic and Pharmacodynamic Modeling
12. Introduction to Pharmacokinetics in Clinical Toxicology
Pavan Vajjah, Geoffrey K. Isbister, and Stephen B. Duffull
13. Modeling of Absorption
Walter S. Woltosz, Michael B. Bolger, and Viera Lukacova
14. Prediction of Pharmacokinetic Parameters
A.K. Madan and Harish Dureja
15. Ligand - And Structure-Based Pregnane X Receptor Models
Sandhya Kortagere, Matthew D. Krasowski, and Sean Ekins
16. Non-Compartmental Analysis
Johan Gabrielsson and Daniel Weiner
17. Compartmental Modeling in the Analysis of Biological Systems
James B. Bassingthwaighte, Erik Butterworth, Bartholomew Jardine, and Gary M. Raymond
18. Physicologically Based Pharmacokinetic/Toxicokinetic Modeling
Jerry L. Campbell, Jr., Rebecca A. Clewell, P. Robinan Gentry, Melvin E. Andersen, and Harvey J. Clewell, III
19. Interspecies Extrapolation
Elaina M. Kenyon
20. Population Effects and Variability
Jean Lou Dorne, Billy Amzal, Frederic Bois, Amelie Crepet, Jessica Tressou, Philippe Verger
21. Mechanism-Based Pharmacodynamic Modeling
Melanie A. Felmlee, Marilyn E. Morris, and Donald E. Mager
PRODUCT DETAILS
Publisher: Springer (Humana Press Inc.)
Publication date: September, 2012
Pages: 624
Weight: 652g
Availability: Available
Subcategories: Pharmacology
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