Computational toxicology [[electronic resource] ] : risk assessment for pharmaceutical and environmental chemicals / / edited by Sean Ekins

• Pubblicazione: Hoboken, N.J., : Wiley-Interscience, c2007
• Descrizione fisica: 1 online resource (855 p.)
• Disciplina: 615.9; 615.9001/5118
• Soggetto topico: Toxicology - Mathematical models; Toxicology - Computer simulation; QSAR (Biochemistry)
• Altri autori: EkinsSean
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: COMPUTATIONAL TOXICOLOGY; CONTENTS; SERIES INTRODUCTION; PREFACE; ACKNOWLEDGMENTS; CONTRIBUTORS; PART I INTRODUCTION TO TOXICOLOGY METHODS; 1 An Introduction to Toxicology and Its Methodologies; 2 In vitro Toxicology: Bringing the In silico and In vivo Worlds Closer; 3 Physiologically Based Pharmacokinetic and Pharmacodynamic Modeling; 4 Species Differences in Receptor-Mediated Gene Regulation; 5 Toxicogenomics and Systems Toxicology; PART II COMPUTATIONAL METHODS; 6 Toxicoinformatics: An Introduction ; 7 Computational Approaches for Assessment of Toxicity: A Historical Perspective and Current Status8 Current QSAR Techniques for Toxicology; PART III APPLYING COMPUTERS TO TOXICOLOGY ASSESSMENT: PHARMACEUTICAL; 9 The Prediction of Physicochemical Properties; 10 Applications of QSAR to Enzymes Involved in Toxicology; 11 QSAR Studies on Drug Transporters Involved in Toxicology; 12 Computational Modeling of Receptor-Mediated Toxicity; 13 Applications of QSAR Methods to Ion Channels; 14 Predictive Mutagenicity Computer Models ; 15 Novel Applications of Kernel-Partial Least Squares to Modeling a Comprehensive Array of Properties for Drug Discovery16 Homology Models Applied to Toxicology; 17 Crystal Structures of Toxicology Targets; 18 Expert Systems; 19 Strategies for Using Computational Toxicology Methods in Pharmaceutical R&D; 20 Application of Interpretable Models to ADME/TOX Problems; PART IV APPLYING COMPUTERS TO TOXICOLOGY ASSESSMENT: ENVIRONMENTAL; 21 The Toxicity and Risk of Chemical Mixtures; 22 Environmental and Ecological Toxicology: Computational Risk Assessment ; 23 Application of QSARs in Aquatic Toxicology24 Dermatotoxicology: Computational Risk Assessment; PART V NEW TECHNOLOGIES FOR TOXICOLOGY: FUTURE AND REGULATORY PERSPECTIVES; 25 Novel Cell Culture Systems: Nano and Microtechnology for Toxicology; 26 Future of Computational Toxicology: Broad Application into Human Disease and Therapeutics; 27 Computational Tools for Regulatory Needs; INDEX
• Sommario/riassunto: 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
• Titolo autorizzato: Computational toxicology
• ISBN: 1-280-91669-9; 9786610916696; 0-470-14589-7; 0-470-14588-9
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910829834103321
• Lo trovi qui: Univ. Federico II
• Serie: Wiley series on technologies for the pharmaceutical industry.