Books

Data Analysis for Chemists -
Application to QSAR and Chemical Product Design

D.J. Livingstone
Oxford University Press
ISBN 0-19-855728-0

Publication date: 23 November 1995
Price: £55.00 (Hardback (laminated boards))

256 pages, line figures, tables, 234mm x 156mm

Written for scientists who have minimal statistical training
Examples from various fields such as food science, toxicity measurements and prediction, and flavours and fragrances, as well as pharmaceutical and agrochemical industries
Covers techniques from multivariate statistics to neural networks
Includes introductory panels for important properties and quantities
Minimum of statistical jargon and theory

This is an extremely practical book written for chemists and other scientists who want to know how to use analytical and interpretive methods from statistical theory, but do not need to be versed in all the theoretical intricacies of the subject. The most commonly used mathematical and statistical methods used to analyse chemical data are described and explained using a wide range of examples. These are drawn from the pharmaceutical and agrochemical chemical design, with emphasis placed on the generation of quantitative structure-activity relationships. With a minimum of statistical jargon and theory included, this book will prove invaluable for chemists who need to learn these methods quickly, and apply them to their own research.

Provides an introduction to and overview of the development of computational models
and QSARs
Describes QSAR methods, including the sources of data, calculation of physicochemical, topological, and molecular orbital properties as well as the appropriate use of statistical techniques
Illustrates how QSARs and computational methods may predict human health endpoints, including the development of models for mutagenicity and carcinogenicity in addition to pharmacokinetic and metabolic effects
Details methods available to predict environmental toxicities, including acute toxicity, endocrine disruption, and the persistence and fate of chemicals
Discusses various applications of QSARs to solve toxicological problems, including the replacement of animals in chemical testing, validation and usage by governmental and regulatory agencies, and successful approaches for predicting effects

Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the toxicity and fate of chemicals both to man and in the environment. While these methods are used in a variety of areas (academic, industrial, regulatory), there is little coherent information available on their use. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state of the art prediction methods that are available. This unique, practical book 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.

Comprises of papers presented at the Genomics conference held at the University of Cambridge, June 1997

Covers topical and unexplored issues relating to the commercial outcome of the genetic revolution, of great interest to both academia and industry

Gives examples of commercial applications of genomics in medicine and agriculture.

The availability of genome sequence infomation for prokaryotic and eukaryotic organisms (including humans) is hailed as a scientific revolution. This book discusses whether the revolution will yield commercial opportunities and if so, how companies could make use of this information. Some of the possible impacts of genomics on medicine and agriculture are also discussed.

Readership: Molecular and clinical geneticists.