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Computational Toxicology
Risk Assessment for Pharmaceutical and Environmental Chemicals
Herausgegeben von Ekins, Sean
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A comprehensive analysis of state-of-the-art molecular modeling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicalsThis 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 ass...
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.
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.