Predicting Chemical Toxicity and Fate

Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological...

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Những tác giả chính:	Cronin, Mark T.D., Livingstone, David J
Định dạng:	Sách
Ngôn ngữ:	English
Được phát hành:	CRC Press 2009
Những chủ đề:	Environmental Sciences
Truy cập trực tuyến:	http://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/1043
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spelling	oai:scholar.dlu.edu.vn:DLU123456789-10432009-10-13T01:30:34Z Predicting Chemical Toxicity and Fate Cronin, Mark T.D. Livingstone, David J Environmental Sciences Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives. 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 Methods * Building QSAR Models - A Practical Guide QSARs 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 Organisms * Prediction 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 Toxicity * Receptor-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) Tests * The 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 2009-10-12T07:48:22Z 2009-10-12T07:48:22Z 2004 Book 041527180 http://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/1043 en application/octet-stream CRC Press
institution	Thư viện Trường Đại học Đà Lạt
collection	Thư viện số
language	English
topic	Environmental Sciences
spellingShingle	Environmental Sciences Cronin, Mark T.D. Livingstone, David J Predicting Chemical Toxicity and Fate
description	Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives.
format	Book
author	Cronin, Mark T.D. Livingstone, David J
author_facet	Cronin, Mark T.D. Livingstone, David J
author_sort	Cronin, Mark T.D.
title	Predicting Chemical Toxicity and Fate
title_short	Predicting Chemical Toxicity and Fate
title_full	Predicting Chemical Toxicity and Fate
title_fullStr	Predicting Chemical Toxicity and Fate
title_full_unstemmed	Predicting Chemical Toxicity and Fate
title_sort	predicting chemical toxicity and fate
publisher	CRC Press
publishDate	2009
url	http://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/1043
_version_	1757661569138819072

Predicting Chemical Toxicity and Fate

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