Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals
Copyright © 2007 John Wiley & Sons, Inc.
Editor(s): Sean Ekins
Published Online: 7 DEC 2006
Print ISBN: 9780470049624
Online ISBN: 9780470145890
About this Book
A comprehensive analysis of state-of-the-art molecular modeling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals
This unique volume describes how the interaction of molecules with toxicologically relevant targets can be predicted using computer-based tools utilizing X-ray crystal structures or homology, receptor, pharmacophore, and quantitative structure activity relationship (QSAR) models of human proteins. It covers the in vitro models used, newer technologies, and regulatory aspects. The book offers a complete systems perspective to risk assessment prediction, discussing experimental and computational approaches in detail, with:
An introduction to toxicology methods and an explanation of computational methods
In-depth reviews of QSAR methods applied to enzymes, transporters, nuclear receptors, and ion channels
Sections on applying computers to toxicology assessment in the pharmaceutical industry and in the environmental arena
Chapters written by leading international experts
Figures that illustrate computational models and references for further information
This is a key resource for toxicologists and scientists in the pharmaceutical industry and environmental sciences as well as researchers involved in ADMET, drug discovery, and technology and software development.