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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
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.
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
From the reviews: "All in all, Graham Borradaile has written and interesting and idiosyncratic book on statistics for geoscientists that will be welcome among students, researchers, and practitioners dealing with orientation data. That should include engineering geologists who work with things like rock fracture orientation measurements or clast alignment in paleoseismic trenches. It won’t replace the collection of statistics and geostatistics texts in my library, but it will have a place among them and will likely be one of several references to which I turn when working with orientation data.... The text is easy to follow and illustrations are generally clear and easy to read..."(William C. Haneberg, Haneberg Geoscience)
An international symposium on `Ocean, River and Lakes: Energy and Substance Transfers at Interfaces' was held in Nantes, France in October 1996. It was the third International Joint Conference on Limnology and Oceanography which brings together specialists of both environments. Considered to be necessary in Europe, this confrontation of two different aspects of common subjects could produce innovative approaches. The main purpose concerns scientific researches relative to the interfaces between various aquatic environment compartments. The principal treated topics are bioavailability and mobility of substances, influence of biotic and abiotic factors on transfers, and fluxes at the interfaces. It is particularly interesting to note the contribution of Limnologists and Oceanographers on the impact of nutrients and pollutants, and flux quantification of river basin inputs. As well as scientists, this book is also of interest to all engineers and consultants involved in teaching and working in aquatic management, restoration and enhancement.
CHOICE Award WinnerTransport and transformation processes are key for determining how humans and other organisms are exposed to chemicals. These processes are largely controlled by the chemicals' physical-chemical properties. This new edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is a comprehen
Visualization and Verbalization of Data shows how correspondence analysis and related techniques enable the display of data in graphical form, which results in the verbalization of the structures in data. Renowned researchers in the field trace the history of these techniques and cover their current applications.The first part of the book explains