Computational Toxicology

A comprehensive analysis of state-of-the-art molecular modelingapproaches and strategies applied to risk assessment forpharmaceutical and environmental chemicalsThis unique volume describes how the interaction of molecules withtoxicologically relevant targets can be predicted usingcomputer-based tools utilizing X-ray crystal structures orhomology, receptor, pharmacophore, and quantitative structureactivity relationship (QSAR) models of human proteins. It coversthe in vitro models used, newer technologies, and regulatoryaspects. The book offers a complete systems perspective to riskassessment prediction, discussing experimental and computationalapproaches in detail, with:* An introduction to toxicology methods and an explanation ofcomputational methods* In-depth reviews of QSAR methods applied to enzymes, transporters,nuclear receptors, and ion channels* Sections on applying computers to toxicology assessment in thepharmaceutical industry and in the environmental arena* Chapters written by leading international experts* Figures that illustrate computational models and references forfurther informationThis is a key resource for toxicologists and scientists in thepharmaceutical industry and environmental sciences as well asresearchers involved in ADMET, drug discovery, and technology andsoftware development.