This document provides a table of contents for a book on computational toxicology. It outlines different parts of the book that cover introductions to toxicology methods, computational methods, applying computers to toxicity assessment of pharmaceuticals and the environment, and new technologies and regulatory perspectives. Each chapter is written by experts in the field and covers topics like quantitative structure-activity relationship models, predicting physicochemical properties, and using computer models in drug discovery and risk assessment.

1. A Comprehensive Analysis of COMPUTATIONAL TOXICOLOGY TABLE OF CONTENTS
State-of-the-Art Molecular Modeling PART I. INTRODUCTION TO TOXICOLOGY METHODS
Approaches and Strategies Applied to An Introduction To Toxicology And Its Methodologies Alan B. Combs and
Daniel Acosta Jr. (Univ. of Texas and Univ. of Cinicinnati, USA)
Risk Assessment for Pharmaceutical In Vitro Toxicology: Bringing The In Silico And In Vivo World Closer Jinghai J. Xu
and Environmental Chemicals (Pfizer, USA)
Physiologically-Based Pharmacokinetic/Pharmacodynamic Modeling Brad Reisfeld,
Arthur N. Mayeno, Michael A. Lyons and Raymond S. H. Yang (Colorado State Univ, USA)
Cross-Species Differences In Receptor-Mediated Gene Regulation Edward L. LeCluyse
and J. Craig Rowlands (CellzDirect and Dow, USA)
Toxicogenomics and Systems Toxicology Michael D. Waters, Jennifer M. Fostel,
Barbara A. Wetmore and B. Alex Merrick (NIEHS, USA)
PART II COMPUTATIONAL METHODS
Toxicoinformatics: An Introduction William J. Welsh, Weida Tong and
Panos G. Georgopoulos (UMDNJ and FDA, USA)
Computational Approaches for Assessment of Toxicity – A Historical Perspective and
Current Status Vijay K Gombar, Brian E Mattioni, Craig Zwickl and Thom Deahl
15% (Eli Lilly, USA)
Discount Current QSAR Techniques For Toxicology Yu Zong Chen, Chun Wei Yap and Hu Li
(National Univ of Singapore, Singapore)
PART III APPLYING COMPUTERS TO TOXICOLOGY ASSESSMENT: PHARMACEUTICAL
The Prediction Of Physicochemical Properties Igor V Tetko (GSF-National Research
Center, Germany)
Computational Toxicology Applications Of QSAR To Enzymes Involved In Toxicology Sean Ekins (ACT LLC, USA)
QSAR-Studies On Drug Transporters Involved In Toxicology Gerhard F. Ecker and
Risk Assessment for Pharmaceutical and Peter Chiba (Univ of Vienna, Austria)
Applications Of QSAR To Receptors Involved In Toxicology Angelo Vedani and
Environmental Chemicals Markus Lill (Univ of Basel, Switzerland)
Edited by Sean Ekins Applications Of QSAR Methods To Ion Channels Alex M. Aronov, Konstantin V.
Balakin, Alex Kiselyov, Shikha Varma-O’Brien and Sean Ekins (Vertex, Chemical
ISBN: 978-0-470-04962-4 • $140.00 • 816 pages • Cloth • July 2007 Diversity, Accelrys, ACT LLC, USA)
Predictive Mutagenicity Computer Models Laura L. Custer, Constantine Kreatsoulas
This unique volume describes how the interaction of molecules and Stephen K. Durham (Bristol-Myers Squibb, USA)
with toxicology relevant targets for pharmaceutical and Novel Applications Of Kernel-Partial Least Squares To Modeling A Comprehensive
environmental risk assessment can be predicted by using computer- Array Of Properties For Drug Discovery Sean Ekins, Mark J. Embrechts,
based tools utilizing X-ray crystal structures or homology, receptor, Curt M. Breneman, Kam Jim and Jean-Pierre Wery (ACT LLC, Rensselaer Polytechnic
pharmacophore and quantitative structure activity relationship Institute, USA)
(QSAR) models of human proteins. It explains the important areas of Homology Models Applied To Toxicology Stewart B. Kirton, Phillip J. Stansfeld,
toxicology, the in vitro models that are used as well as historical John S. Mitcheson and Michael J. Sutcliffe(Univ Manchester, Univ Leicester, UK)
aspects of technology development, newer technologies and Crystal Structures Of Toxicology Targets Frank E. Blaney and Ben G. Tehan
regulatory aspects which are important and represent the future for (GlaxoSmithKline, UK)
the field Expert Systems Philip Judson (Judson Consulting Service, UK)
Strategies For Using Computational Toxicology Methods In Pharmaceutical R&D
Each chapter is written by international leading experts in the field Lutz Müller, Alexander Breidenbach, Christoph Funk, Wolfgang Muster and Axel Pähler
from both industry and academia and was carefully edited to (F. Hoffman-LaRoche, Switzerland)
ensure a consistent structure and approach throughout the book. Application Of Interpretable Models To ADME/TOX Problems Tomoko Niwa and
This is essential reading for professionals and scientists in the Katsumi Yoshida (Nippon Shinyaku Ltd, Japan)
pharmaceutical industry as well as researchers involved in
informatics, ADME, toxicology, drug discovery and technology PART IV APPLYING COMPUTERS TO TOXICOLOGY ASSESSMENT: ENVIRONMENTAL
development.
The Toxicity and Risk Of Chemical Mixtures John C. Lipscomb, Jason C. Lambert and
Moiz Mumtaz (US EPA, USA)
ORDER YOUR COPY TODAY AND SAVE 15%! Environmental And Ecological Toxicology – Computational Risk Assessment
Mention promotion code EKNS7 to receive your discount. Emilio Benfenati, Giovanna Azimonti, Domenica Auteri and Marco Lodi (Mario Negri,
Italy)
North, Central & South America Application Of QSARs In Aquatic Toxicology James Devillers (CTIS, France)
Tel: 877.762.2974
Dermatotoxicology:Computational Risk Assessment Jim E. Riviere (Carolina State
Email: custserv@wiley.com • Internet: www.wiley.com
University, USA)
Europe, Middle East, Africa & Asia
PART V NEW TECHNOLOGIES FOR TOXICOLOGY: FUTURE AND REGULATORY
Tel: +44 (0) 1243 843 294 PERSPECTIVES
Email: cs-books@wiley.co.uk • Internet: www.wileyeurope.com
Novel Cell Culture Systems – Micro And Nanotechnology For Toxicology Mike Shuler
and Hui Xu (Cornell Univ, USA)
Germany, Switzerland, & Austria
Tel: +49 (0) 6201 606 400 Future Of Computational Toxicology: Broad Application Into Human Disease And
Therapeutics Dale E. Johnson, Amie D. Rodgers and Sucha Sudarsanam
Email: service@wiley-vch.de • Internet: www.wiley-vch.de (Emiliem, USA)
Computational Tools for Regulatory Needs Arianna Bassan and Andrew P. Worth
(European Chemicals Bureau, Italy)