Based on the Lectures given during the Eurocourse on `Applied Multivariate Analysis in SAR and Environmental Studies' held at the Joint Research Centre, Ispra, Italy, June 24-28, 1991

Honey Bees: Estimating the Environmental Impact of Chemicals is an updated account of the different strategies for assessing the ecotoxicity of xenobiotics against these social insects, which play a key role in both ecology and agriculture. In addition to the classical acute laboratory test, semi-field cage tests and full field funnel tests, new te

Comprehensive and impeccably edited, Neural Networks in QSAR and Drug Design is the first book to present an all-inclusive coverage of the topic. The book provides a practice-oriented introduction to the different neural network paradigms, allowing the reader to easily understand and reproduce the results demonstrated. Numerous examples are detailed, demonstrating a variety of applications to QSAR and drug design.The contributors include some of the most distinguished names in the field, and the book provides an exhaustive bibliography, guiding readers to all the literature related to a particular type of application or neural network paradigm. The extensive index acts as a guide to the book, and makes retrieving information from chapters an easy task. A further research aid is a list of software with indications of availablility and price, as well as the editors scale rating the ease of use and interest/price ratio of each software package. The presentation of new, powerful tools for modeling molecular properties and the inclusion of many important neural network paradigms, coupled with extensive reference aids, makes Neural Networks in QSAR and Drug Design an essential reference source for those on the frontiers of this field. - Presents the first coverage of neural networks in QSAR and Drug Design - Allows easy understanding and reproduction of the results described within - Includes an exhaustive bibliography with more than 200 references - Provides a list of applicable software packages with availability and price

The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice-oriented handbook is a comprehensive account of modern chemometric methods in molecular design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data. Written by the world's experts, it provides in-depth information on * molecular concepts * experimental design in the planning of syntheses * multivariate analysis of chemical and biological data * statistical validation of QSAR results An additional benefit: the book contains a critical survey of commercially available software packages both for statistical analysis as well as for special applications. Industrial and academic researches in medicinal chemistry and organic chemistry will value this book as a useful source of information for their daily work. Also available: Advanced Computer-Assisted Techniques in Drug Discovery, edited by H. van de Waterbeemd

A complete introduction to discriminant analysis--extensively revised, expanded, and updated This Second Edition of the classic book, Applied Discriminant Analysis, reflects and references current usage with its new title, Applied MANOVA and Discriminant Analysis. Thoroughly updated and revised, this book continues to be essential for any researcher or student needing to learn to speak, read, and write about discriminant analysis as well as develop a philosophy of empirical research and data analysis. Its thorough introduction to the application of discriminant analysis is unparalleled. Offering the most up-to-date computer applications, references, terms, and real-life research examples, the Second Edition also includes new discussions of MANOVA, descriptive discriminant analysis, and predictive discriminant analysis. Newer SAS macros are included, and graphical software with data sets and programs are provided on the book's related Web site. The book features: Detailed discussions of multivariate analysis of variance and covariance An increased number of chapter exercises along with selected answers Analyses of data obtained via a repeated measures design A new chapter on analyses related to predictive discriminant analysis Basic SPSS(r) and SAS(r) computer syntax and output integrated throughout the book Applied MANOVA and Discriminant Analysis enables the reader to become aware of various types of research questions using MANOVA and discriminant analysis; to learn the meaning of this field's concepts and terms; and to be able to design a study that uses discriminant analysis through topics such as one-factor MANOVA/DDA, assessing and describing MANOVA effects, and deleting and ordering variables.

This document presents principles and helpful guides for validating (Q)SAR technology for a variety of applications.

Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.

J. W. Einax, H. W. Zwanziger S. Gei Chemometrics in Environmental Analysis Make the most of your data! This new title will serve both as an introduction and as a practical guide to those techniques of chemometrics which are applicable to environmental analysis. By describing the optimum methods of data analysis it will help all chemists in this field to save time and money. Because the authors demonstrate the most important chemometric methods with the aid of numerous examples, the reader will learn to solve a given problem by use of the appropriate method. Applications range from sampling, through laboratory analysis, to evaluation. Interpretation of the findings is explained clearly. The text covers not only basic methods such as univariate statistics, regression analysis, and statistical test planning, but also multivariate data analysis, for example, cluster analysis, principal components analysis, and factor and discriminant analysis. Case studies show the enormous possibilities, and the limits, of chemometric methods. The book will help all environmental analytical scientists, even those with only a basic knowledge of mathematics, to optimize the evaluation and interpretation of the results of their measurements.

Bees are critically important for ecosystem function and biodiversity maintenance through their pollinating activity. This book provides a collection of computational methods to those primarily interested in the study of the ecology, ethology, and ecotoxicology of bees. It presents numerous case studies to enable readers to understand the appropriateness but also the limitations of models in theoretical and applied bee research. Written by an international team of experts, this book covers the main types of modeling approaches that can be used in terrestrial ecology and applied ecotoxicology.