Predicting Chemical Toxicity and Fate (Hardcover)

INTRODUCTION Predicting Chemical Toxicity and Fate in Humans and the Environment - An Introduction METHODOLOGY Toxicity Data Sources Calculation of Physicochemical Properties Good Practice in Physicochemical Property Prediction Whole Molecule and Atom Based Topological Descriptors Quantum Chemical Descriptors in Structure-Activity Relationships - Calculation, Interpretation and comparison of MethodsBuilding QSAR Models - A Practical GuideQSARs FOR HUMAN HEALTH ENDPOINTS Prediction of Human Health Endpoints: Mutagenicity and Carcinogenicity The Use of Expert Systems for Toxicity Prediction - Illustrated with Reference to the DEREK Program Computer-Based Methods for the Prediction of Chemical Metabolism and Biotransformation within Biological OrganismsPrediction of Pharmacokinetic Parameters in Drug Design and Toxicology QSARs FOR ENVIRONMENTAL TOXICITY AND FATE An Exercise in External Validation: The Benzene Response-Surface Model for Tetrahymena ToxicityReceptor-Mediated Toxicity: QSARs for Oestrogen Receptor Binding and Priority Setting of Potential Oestrogenic Endocrine Disruptors Prediction of Persistence QSAR Modelling of Bioaccumulation QSAR Modelling of Soil Sorption Application of Catabolic-Based Biosensors to Develop QSARs for Degradation APPLICATION The Tiered Approach to Toxicity Assessment Based on the Integrated Use of Alternative (Non-Animal) TestsThe Use of Quantitative Structure-Activity Relationships and Expert Systems to Predict Toxicity by Governmental Regulatory Agencies A Framework for Promoting the Acceptance and Regulatory Use of (Quantitative) Structure-Activity Relationships.