Multi- and Megavariate Data Analysis Basic Principles and Applications


Book Description

To understand the world around us, as well as ourselves, we need to measure many things, many variables, many properties of the systems and processes we investigate. Hence, data collected in science, technology, and almost everywhere else are multivariate, a data table with multiple variables measured on multiple observations (cases, samples, items, process time points, experiments). This book describes a remarkably simple minimalistic and practical approach to the analysis of data tables (multivariate data). The approach is based on projection methods, which are PCA (principal components analysis), and PLS (projection to latent structures) and the book shows how this works in science and technology for a wide variety of applications. In particular, it is shown how the great information content in well collected multivariate data can be expressed in terms of simple but illuminating plots, facilitating the understanding and interpretation of the data. The projection approach applies to a variety of data-analytical objectives, i.e., (i) summarizing and visualizing a data set, (ii) multivariate classification and discriminant analysis, and (iii) finding quantitative relationships among the variables. This works with any shape of data table, with many or few variables (columns), many or few observations (rows), and complete or incomplete data tables (missing data). In particular, projections handle data matrices with more variables than observations very well, and the data can be noisy and highly collinear. Authors: The five authors are all connected to the Umetrics company (www.umetrics.com) which has developed and sold software for multivariate analysis since 1987, as well as supports customers with training and consultations. Umetrics' customers include most large and medium sized companies in the pharmaceutical, biopharm, chemical, and semiconductor sectors.










Molecular Design


Book Description

Kleine Moleküle für Einsteiger: Dieser für Lehre und Selbststudium gleichermaßen geeignete Band behandelt den computergestützten Entwurf von Wirkstoffen, Enzyminhibitoren, Sonden und Markern für Biomoleküle und führt den Leser bis zum ersten eigenen De-Novo-Design eines funktionellen Moleküls. Gestützt auf lange Erfahrung im Molecular-Modeling-Umfeld erläutern die Autoren, welche Fragen mit den beschriebenen Methoden beantwortet werden können (und welche nicht).




Bioaerosol Detection Technologies


Book Description

This book is intended to give technological background and practical examples, but also to give general insight into the on-going technology development in the area of biodetection. The content is therefore suitable for an array of stakeholders (decision makers, purchasing officers, etc.) and end-users of biodetection equipment within the areas of health, environment, safety and security, and military preparation. The book is divided into three sections. The first section discusses the fundamental physical and biological properties of bioaerosol's. The second section goes into more detail and discusses in-depth the most commonly used detection principles. The third section of the book is devoted to technologies that have been used in standoff applications. The last section of the book gives an overview of trends in bioaerosol detection. The reader of this book will gain knowledge about the different biodetection technologies and thus better judge their capabilities in relation to desired applications.




Comprehensive Chemometrics


Book Description

Designed to serve as the first point of reference on the subject, Comprehensive Chemometrics presents an integrated summary of the present state of chemical and biochemical data analysis and manipulation. The work covers all major areas ranging from statistics to data acquisition, analysis, and applications. This major reference work provides broad-ranging, validated summaries of the major topics in chemometrics—with chapter introductions and advanced reviews for each area. The level of material is appropriate for graduate students as well as active researchers seeking a ready reference on obtaining and analyzing scientific data. Features the contributions of leading experts from 21 countries, under the guidance of the Editors-in-Chief and a team of specialist Section Editors: L. Buydens; D. Coomans; P. Van Espen; A. De Juan; J.H. Kalivas; B.K. Lavine; R. Leardi; R. Phan-Tan-Luu; L.A. Sarabia; and J. Trygg Examines the merits and limitations of each technique through practical examples and extensive visuals: 368 tables and more than 1,300 illustrations (750 in full color) Integrates coverage of chemical and biological methods, allowing readers to consider and test a range of techniques Consists of 2,200 pages and more than 90 review articles, making it the most comprehensive work of its kind Offers print and online purchase options, the latter of which delivers flexibility, accessibility, and usability through the search tools and other productivity-enhancing features of ScienceDirect




Characterization of Pharmaceutical Nano- and Microsystems


Book Description

Learn about the analytical tools used to characterize particulate drug delivery systems with this comprehensive overview Edited by a leading expert in the field, Characterization of Pharmaceutical Nano- and Microsystems provides a complete description of the analytical techniques used to characterize particulate drug systems on the micro- and nanoscale. The book offers readers a full understanding of the basic physicochemical characteristics, material properties and differences between micro- and nanosystems. It explains how and why greater experience and more reliable measurement techniques are required as particle size shrinks, and the measured phenomena grow weaker. Characterization of Pharmaceutical Nano- and Microsystems deals with a wide variety of topics relevant to chemical and solid-state analysis of drug delivery systems, including drug release, permeation, cell interaction, and safety. It is a complete resource for those interested in the development and manufacture of new medicines, the drug development process, and the translation of those drugs into life-enriching and lifesaving medicines. Characterization of Pharmaceutical Nano- and Microsystems covers all of the following topics: An introduction to the analytical tools applied to determine particle size, morphology, and shape Common chemical approaches to drug system characterization A description of solid-state characterization of drug systems Drug release and permeation studies Toxicity and safety issues The interaction of drug particles with cells Perfect for pharmaceutical chemists and engineers, as well as all other industry professionals and researchers who deal with drug delivery systems on a regular basis, Characterization of Pharmaceutical Nano- and Microsystems also belongs on bookshelves of interested students and faculty who interact with this topic.




Data Wrangling


Book Description

DATA WRANGLING Written and edited by some of the world’s top experts in the field, this exciting new volume provides state-of-the-art research and latest technological breakthroughs in data wrangling, its theoretical concepts, practical applications, and tools for solving everyday problems. Data wrangling is the process of cleaning and unifying messy and complex data sets for easy access and analysis. This process typically includes manually converting and mapping data from one raw form into another format to allow for more convenient consumption and organization of the data. Data wrangling is increasingly ubiquitous at today’s top firms. Data cleaning focuses on removing inaccurate data from your data set whereas data wrangling focuses on transforming the data’s format, typically by converting “raw” data into another format more suitable for use. Data wrangling is a necessary component of any business. Data wrangling solutions are specifically designed and architected to handle diverse, complex data at any scale, including many applications, such as Datameer, Infogix, Paxata, Talend, Tamr, TMMData, and Trifacta. This book synthesizes the processes of data wrangling into a comprehensive overview, with a strong focus on recent and rapidly evolving agile analytic processes in data-driven enterprises, for businesses and other enterprises to use to find solutions for their everyday problems and practical applications. Whether for the veteran engineer, scientist, or other industry professional, this book is a must have for any library.




Web Services: Concepts, Methodologies, Tools, and Applications


Book Description

Web service technologies are redefining the way that large and small companies are doing business and exchanging information. Due to the critical need for furthering automation, engagement, and efficiency, systems and workflows are becoming increasingly more web-based. Web Services: Concepts, Methodologies, Tools, and Applications is an innovative reference source that examines relevant theoretical frameworks, current practice guidelines, industry standards and standardization, and the latest empirical research findings in web services. Highlighting a range of topics such as cloud computing, quality of service, and semantic web, this multi-volume book is designed for computer engineers, IT specialists, software designers, professionals, researchers, and upper-level students interested in web services architecture, frameworks, and security.