Computational Toxicology: Volume I (Methods in Molecular Biology, 929)

ISBN 10: 1627030492 ISBN 13: 9781627030496

Edit� par Humana, 2012

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Synopsis :

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, Fr�d�ric Bois, Am�lie Cr�pet, Jessica Tressou, Philippe Verger

21. Mechanism-Based Pharmacodynamic Modeling

Melanie A. Felmlee, Marilyn E. Morris, and Donald E. Mager

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Titre : Computational Toxicology: Volume I (Methods ...
�diteur : Humana
Date d'�dition : 2012
Reliure : Couverture rigide
Etat : New

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Computational Toxicology. Volume I.

Reisfeld, Brad

Edit� par Totowa, NJ, Humana Press., 2012

ISBN 10 : 1627030492 ISBN 13 : 9781627030496

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Computational Toxicology : Volume I

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Edit� par Humana Press, 2012

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Etat : Sehr gut. Zustand: Sehr gut | Seiten: 624 | Sprache: Englisch | Produktart: B�cher | 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� 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. N� de r�f. du vendeur 22480309/12

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COMPUTATIONAL TOXICOLOGY: VOLUME I

BRAD REISFELD

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COMPUTATIONAL TOXICOLOGY, VOLUME. I

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Computational Toxicology: Volume I (Methods in Molecular Biology)

Brad Reisfeld (editor); Arthur N. Mayeno (editor)

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COMPUTATIONAL TOXICOLOGY, VOLUME. I

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Computational Toxicology: Volume I (Methods in Molecular Biology, 929)

Edit� par Humana, 2012

ISBN 10 : 1627030492 ISBN 13 : 9781627030496

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