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Predicting Chemical Toxicity and Fate
 
 
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Predicting Chemical Toxicity and Fate [Hardcover]

Mark T.D. Cronin (Editor)

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Book Description

May 27, 2004
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.

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Inside This Book (learn more)
First Sentence:
Chemicals are able to bring about both desirable and undesirable effects on organisms to which they are exposed, and the actions of medicines and poisons and toxic agents have been recognized for thousands of years. Read the first page
Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
acceptor delocalizability, model soil sorption, donor delocalizability, three semiempirical methods, surface area confined, chemical structures using molecular properties, congeneric chemicals, hydrocarbon degradation pathways, kappa shape indices, hydrogen bond acceptor ability, pharmacophore queries, acceptor superdelocalizability, disjoint bonds, net atomic charges, molecular electronegativity, predicting metabolism, tiered testing strategy, frontier orbital energies, surface area descriptors, electrotopological state indices, toxicity and fate, structural alerts, tod operon, tiered testing strategies, hydrogen bond donor ability
Key Phrases - Capitalized Phrases (CAPs): (learn more)
Health Perspect, Environmental Protection Agency, Boca Raton, New York, European Commission, National Toxicology Program, Total Environ, Computational Chem, Drug Metab, Mutation Res, John Wiley, American Chemical Society, Lewis Publishers, Oxford University Press, Ter Laak, Drug Delivery Rev, Alternatives Lab, Chemical Product Design, European Economic Community, Fish Diverse, Simplified Molecular Line Entry System, Academic Press, Contamination Toxicol, Graphics Modelling, Air Compartment
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