Computational toxicology: risk assessment for pharmaceutical and environmental chemicals

Pt. I. Introduction to toxicology methods

1. introduction to toxicology and its methodologies / Alan B. Combs and Daniel Acosta, Jr.

2. In vitro toxicology : bringing the In silico and In vivo worlds closer / Jinghai J. Xu

3. Physiologically based pharmacokinetic and 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

Pt. 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 J. Thom Deahl

8. Current QSAR techniques for toxicology / Yu Zong Chen, Chun Wei Yap and Hu Li

Pt. III. Applying computers to toxicology assessment : pharmaceutical

9. 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 / Markus A. Lill and Angelo Vedani

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, Karn Jim and Jean-Pierre Wery

16. Homology models applied to toxicology / Stewart B. Kirton, Phillip J. Stansfeld, John S. Mitcheson and Michael J. Sutcliffe

17. Crystal structures of toxicology targets / Frank E. Blaney and Ben G. Tehan

18. Expert systems / Philip N. Judson

19. Strategies for using computational toxicology methods in pharmaceutical R&D / Lutz Muller, Alexander Breidenbach, Christoph Funk, Wolfgang Muster and Axel Pahler

20. Application of interpretable models to ADME/TOX problems / Tomoko Niwa and Katsumi Yoshida

Pt. IV. Applying computers to toxicology assessment : environmental

21. toxicity and risk of chemical mixtures / John C. Lipscomb, Jason C. Lambert and Moiz Mumtaz

22. Environmental and ecological toxicology : computational risk assessment / Emilio Benfenati, Giovanna Azimonti, Domenica Auteri and Marco Lodi

23. Application of QSARs in aquatic toxicology / James Devillers

24. Dermatotoxicology : computational risk assessment / Jim E. Riviere

Pt. V. New technologies for toxicology : future and regulatory perspectives

25. Novel cell culture systems : nano and microtechnology for toxicology / Mike L. Shuler and Hui Xu

26. Future of computational toxicology : broad application into human disease and therapeutics / Dale E. Johnson, Amie D. Rodgers and Sucha Sudarsanam

27. Computational tools for regulatory needs / Arianna Bassan and Andrew P. Worth.