Multi- and Megavariate Data Analysis Basic Principles and Applications

Multi- and Megavariate Data Analysis Basic Principles and Applications

Author: L. Eriksson

Publisher: Umetrics Academy

Published: 2013-07-01

Total Pages: 509

ISBN-13: 9197373052

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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.


Comprehensive Chemometrics

Comprehensive Chemometrics

Author:

Publisher: Elsevier

Published: 2009-03-09

Total Pages: 2880

ISBN-13: 044452701X

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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

Characterization of Pharmaceutical Nano- and Microsystems

Author: Leena Peltonen

Publisher: John Wiley & Sons

Published: 2020-12-21

Total Pages: 410

ISBN-13: 1119414040

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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.


Chemometrics and Cheminformatics in Aquatic Toxicology

Chemometrics and Cheminformatics in Aquatic Toxicology

Author: Kunal Roy

Publisher: John Wiley & Sons

Published: 2022-01-06

Total Pages: 596

ISBN-13: 1119681596

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CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.


Multivariate Data Analysis

Multivariate Data Analysis

Author: Joseph Hair

Publisher: Pearson Higher Ed

Published: 2016-08-18

Total Pages: 816

ISBN-13: 0133792684

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This is the eBook of the printed book and may not include any media, website access codes, or print supplements that may come packaged with the bound book. For graduate and upper-level undergraduate marketing research courses. For over 30 years, Multivariate Data Analysis has provided readers with the information they need to understand and apply multivariate data analysis. Hair et. al provides an applications-oriented introduction to multivariate analysis for the non-statistician. By reducing heavy statistical research into fundamental concepts, the text explains to readers how to understand and make use of the results of specific statistical techniques. In this Seventh Edition, the organization of the chapters has been greatly simplified. New chapters have been added on structural equations modeling, and all sections have been updated to reflect advances in technology, capability, and mathematical techniques.


Molecular Design

Molecular Design

Author: Gisbert Schneider

Publisher: John Wiley & Sons

Published: 2008-02-26

Total Pages: 284

ISBN-13: 9783527314324

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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).


Applied Multivariate Statistical Analysis (Classic Version)

Applied Multivariate Statistical Analysis (Classic Version)

Author: Richard A. Johnson

Publisher: Pearson

Published: 2018-03-18

Total Pages: 808

ISBN-13: 9780134995397

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This title is part of the Pearson Modern Classics series. Pearson Modern Classics are acclaimed titles at a value price. Please visit www.pearsonhighered.com/math-classics-series for a complete list of titles. For courses in Multivariate Statistics, Marketing Research, Intermediate Business Statistics, Statistics in Education, and graduate-level courses in Experimental Design and Statistics. Appropriate for experimental scientists in a variety of disciplines, this market-leading text offers a readable introduction to the statistical analysis of multivariate observations. Its primary goal is to impart the knowledge necessary to make proper interpretations and select appropriate techniques for analyzing multivariate data. Ideal for a junior/senior or graduate level course that explores the statistical methods for describing and analyzing multivariate data, the text assumes two or more statistics courses as a prerequisite.