Computational Toxicology

Series Introduction.

Preface.

Acknowledgments.

Contributors.

PART I: INTRODUCTION TO TOXICOLOGY METHODS.

1. An Introduction to Toxicology and Its Methodologies (Alan B. Combs and Daniel Acosta Jr.).

2. In Vitro Toxicology: Bringing The In Silico and In Vivo World Closer (Jinghai J. Xu).

3. Physiologically-Based Pharmacokinetic/Pharmacodynamic Modeling (Brad Reisfeld, Arthur N. Mayeno, Michael A. Lyons and Raymond S. H. Yang).

4. Species Differences In Receptor-Mediated Gene Regulation (Edward L. LeCluyse and J. Craig Rowlands).

5. Toxicogenomics and Systems Toxicology (Michael D. Waters, Jennifer M. Fostel, Barbara A. Wetmore and B. Alex Merrick).

PART II: COMPUTATIONAL METHODS.

6. Toxicoinformatics: An Introduction (William J. Welsh, Weida Tong and Panos G. Georgopoulos).

7. Computational Approaches for Assessment of Toxicity - A Historical Perspective and Current Status (Vijay K Gombar, Brian E Mattioni, Craig Zwickl and Thom Deahl).

8. Current QSAR Techniques for Toxicology (Yu Zong Chen, Chun Wei Yap and Hu Li).

PART III. APPLYING COMPUTERS TO TOXICOLOGY ASSESSMENT: PHARMACEUTICAL.

9. The Prediction of Physicochemical Properties (Igor V Tetko).

10. Applications of QSAR to Enzymes Involved In Toxicology (Sean Ekins).

11. QSAR-Studies on Drug Transporters Involved In Toxicology (Gerhard F. Ecker and Peter Chiba).

12. Computational Modeling of Receptor-Mediated Toxicity. (Angelo Vedani and Markus Lill).

13. Applications Of QSAR Methods To Ion Channels (Alex M. Aronov, Konstantin V. Balakin, Alex Kiselyov, Shikha Varma-O'Brien and Sean Ekins).

14. Predictive Mutagenicity Computer Models (Laura L. Custer, Constantine Kreatsoulas and Stephen K. Durham).

15. Novel Applications of Kernel-Partial Least Squares to Modeling A Comprehensive Array Of Properties For Drug Discovery (Sean Ekins, Mark J. Embrechts, Curt M. Breneman, Kam Jim and Jean-Pierre Wery).

16. Homology Models Applied To Toxicology (Stewart

Sean Ekins , MSc, PhD, DSc, is Senior Vice President of Computational Biology, Arnold Consultancy and Technologies, and an Adjunct Associate Professor in the Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy. Dr. Ekins has authored more than eighty peer reviewed papers and book chapters as well as several patents. He serves on scientific advisory boards and editorial boards for six journals and consults for biotechnology companies on ADMET, systems biology, and in vitro approaches. He previously edited Computer Applications in Pharmaceutical Research and Development (Wiley).

"This book appears as a key resource for toxicologists and scientists in the pharmaceutical industry and environmental sciences. It could also be helpful for researchers involved in ADMET, drug discovery, and technology and software development." ( International Journal of Bioautomation , April 2009) "This is an impressive and timely contribution to an important medical and environmental field." ( Computing Reviews , June 4, 2008) "Recommended. All levels." ( CHOICE , April 2008) " this is an excellent resource on state of art and emerging computer based technologies for the assessment of toxicity via pharmaceutical or environmental agents." ( Journal of Medicinal Chemistry , February 2008) Computational Toxicology brings together, in an organized and competent manner, the current state of quantitative experimental toxicology. ( International Journal of Toxicology , 2008)