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Computational Toxicology: Volume I
Paperback
Series: Methods in Molecular Biology, Book 929
Medical ReferenceBiologyGeneral Science
ISBN13: 9781493958979
Publisher: Humana
Published: Aug 23 2016
Pages: 612
Weight: 2.36
Height: 1.26 Width: 7.00 Depth: 10.00
Language: English
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, Frédéric Bois, Amélie Crépet, Jessica Tressou, Philippe Verger
21. Mechanism-Based Pharmacodynamic Modeling
Melanie A. Felmlee, Marilyn E. Morris, and Donald E. Mager3 different editions
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