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	Chemometrics - Wikipedia, the free encyclopedia
		Chemometrics is the application of mathematical or statistical methods to chemical data.
		Chemometrics is the science of relating measurements made on a chemical system or process to the state of the system via application of mathematical or statistical methods.
		Chemometrics tries to build a bridge between the methods and their application in chemistry.
	en.wikipedia.org /wiki/Chemometrics (139 words)

	An Introduction to Chemometrics, by Brian A. Rock, Ph.D.
		Chemometrics itself can be defined as the application of mathematical, statistical, graphical or symbolic methods to maximize the chemical information which can be extracted from data.
		One of the primary goals of chemometrics is to reduce the number of dimensions needed to accurately portray the characteristics of the data set.
		In some sense, most chemometric techniques are statistical in nature; a separate statistical category serves as a catch-all for those techniques which don't comprise a category of their own in chemometrics.
	home.neo.rr.com /catbar/chemo/chem_txt.htm (4493 words)

	Chemometrics
		Chemometrics is the field of extracting information from multivariate chemical data using tools of statistics and mathematics.
		The goal of chemometric regression analysis is to develop a calibration model which correlates the information in the set of known measurements to the desired property.
		Chemometric algorithms for performing regression include partial least squares (PLS) and principal component regression (PCR) and are designed to avoid problems associated with noise and correlations in the data.
	www.infometrix.com /chemometrics/chemometrics.html (599 words)

	Chemometrics
		Analytical chemistry is one of the main application areas of chemometrics.
		Chemometrics is also known as chemometry, but to a (much) lesser extent.
		The rather extreme international preference for the term chemometrics is hard to understand, considering that national preferences are more often than not the translation of the term chemometry.
	www.chemometry.com /Index/Chemometrics.html (319 words)

	Sensometrics : Design of Experiments (DoE) : Chemometrics
		Chemometrics is a statistical technique that can directly correlate quality parameters or physical properties to analytical instrument data collected from food products.
		Using chemometrics, patterns in the data can be modeled; and the models can then be routinely applied to future data in order to predict the same quality parameters.
		Chemometrics can be used to speed up methods of development and make the use of statistical models for data analysis routine.
	www.camo.com /rt/Products/Multivariate/application_consumer.html (935 words)

	Sandia National Laboratories: NMR Lab: NMR and Chemometrics (Site not responding. Last check: 2007-10-09)
		Although the use of numerical techniques is well founded in the analysis of NMR data, the use of multivariate techniques for NMR has been rather limited in comparison to other forms of spectroscopy.
		Accomplishment: Chemometric techniques allow additional information to be obtained from the NMR spectra that would not be readily apparent.
		The use of chemometrics has allowed additional insight into material changes as a function of aging as well as impacting biological related metabonomic research.
	www.sandia.gov /materials/sciences/nmr_lab/Chemometrics_NMR.htm (591 words)

	NMR and Chemometrics
		Chemometrics is the statistical processing of analytical chemistry data with various numerical techniques in order to extract information.
		Chemometric data analysis routines consist of proven mathematical tools from the statistics and engineering literature.
		Chemometric techniques provide a means for extracting complex property information from subtle variations in the fuel spectrum that arise from variations in the array of chemical constituents present in the fuel sample.
	www.process-nmr.com /chemo.htm (4351 words)

	Field of Chemometrics
		Jerry Workman's 2002 presentation on chemometrics, and the field's connection to the reinterpretation of the traditional scientific method and to process analytical technology can be found here (ppt file) or here (PDF file).
		Chemometrics is closely associated with process analytical chemistry (PAC) and process analytical technology (PAT).
		Chemometrics is also closely connected to chemical analysis - for reasons of history and convenience, and also because of the focus of the methodology.
	www.udel.edu /chemo/Links/chemo_def.htm (303 words)

	Chemometrics: Data Analysis for the Laboratory and Chemical Plant - eBookMall
		The text is based around extensive work examples based primarily on the author's experience of more than a decade in chemometrics research and education both with university students and industrialists.
		In addition, the problems at the end of each chapter cover a wide range of applications to illustrate the broad applicability of these methods in different fields: these form an important part of the text, being a mixture of real case studies and simulations which are ideal for coursework or self study.
		All calculations, graphs and answers to the worked examples and problems may be produced either in Excel or MATLAB or in most chemometrics packages according to the experience of the reader.
	www.ebookmall.com /ebooks/chemometrics-data-analysis-for-the-laboratory-and-chemical-plant-brereton-ebooks.htm (328 words)

	Chemometrics Toolbox (Site not responding. Last check: 2007-10-09)
		The Chemometrics Toolbox provides more than 40 specialized MATLAB functions for chemometric calibration.
		Chemometrics organizes chemical data into matrices so that it can be processed to create calibrations or extract useful information.
		The Chemometrics Toolbox provides a family of functions that enable you to quickly and easily apply chemometric techniques to your data.
	www.chemometrics.com /software/chemometrics.html (305 words)

	Expert: Near-Infrared Spectroscopy, Statistics, Chemometrics, and Software Development Expert
		Expert has a great deal of experience in the application of infrared and near-infrared spectrometers to the solution of particular analytical problems, including feasibility studies, calibration generation, qualitative analysis, calibration transferability, troubleshooting, training, and conducting demonstrations.
		Expert has extensive experience developing chemometric algorithms, many of which were designed and implemented through computer software.
		He is a world-renowned expert in the application of modern statistical and chemometric methods of data analysis to spectroscopic data.
	www.intota.com /viewbio.asp?bioID=603782&perID=108073 (790 words)

	Chemometrics and NMR
		Chemometrics (PLS, PCR, PCA or MLR) has been applied to NMR data to obtain predictive models that can predict parameters of interest for process control in the refining, oil exploration, chemical, and food industries.
		The chemometrics program used to generate the models for the online applications is Galactic Grams Version 5.0 with the PLS/IQ package.
		The Pirouette Chemometrics package by Infometrix Inc. is also available for PLS and other applications.
	www.process-nmr.com /chemo2.htm (162 words)

	Chemometrics in Spectroscopy Column - Spectroscopy
		In this month's installment of "Chemometrics in Spectroscopy," the authors again explore that vital link between statistics and chemometrics, this time with an emphasis on the statistics side.
		In this month's installment of "Chemometrics in Spectroscopy," the authors explore that vital link between statistics and chemometrics, with an emphasis on the chemometrics side.
		Chemometrics in Spectroscopy — Linearity in Calibration: Quantifying Non-linearity
	www.spectroscopymag.com /spectroscopy/article/articleList.jsp?categoryId=2119 (519 words)

	Oxford University Press: Chemometrics and Chemoinformatics: Barry K. Lavine (Site not responding. Last check: 2007-10-09)
		Chemometrics and Chemoinformatics gives chemists and other scientists an introduction to the field of chemometrics and chemoinformatics.
		Chemometrics is an approach to analytical chemistry based on the idea of indirect observation.
		Chemoinformatics is a subfield of chemometrics, which encompasses the analysis, visualization, and use of chemical structural information as a surrogate variable for other data or information.
	www.oup.com /us/catalog/general/subject/Chemistry/MedicinalChemistry/~~/cHI9MTAmcGY9MCZzcz1wdWJkYXRlLmFzYyZzZj1jb21pbmdzb29uJnNkPWFzYyZ2aWV3PXVzYSZjaT0wODQxMjM4NTg4 (337 words)

	Expert: Beer & Beverage Technology, Chemometrics & Multivariate Analysis, Food Microbiology, Food Chemistry ...
		Expert is a member of the American Chemical Society, the American Society of Brewing Chemists, the Institute of Food Technologists, the International Chemometrics Society, North American Chapter, and the Master Brewers Association of the Americas.
		Expert taught short courses on chemometrics and on-line sensors and provided lectures to clients on beer colloidal stabilization, HACCP, and other food science and technology topics.
		Expert has given advice on chemometric/ multivariate data analysis and carried out analysis of client data.
	www.intota.com /viewbio.asp?bioID=603590&perID=108340 (1291 words)

	[No title]
		This is the chemometric part of the project.
		A programme in Industrial Data Modelling, which, depending where you are coming from, is chemometrics, technometrics or biometrics.
		Infometrix develops software products in the field of Chemometrics, employing pattern recognition and modeling techniques for the analysis of multivariate data sets in chemistry and biotechnology.
	www.anachem.umu.se /jumpstation/Chemometrics.html (858 words)

	First Winter School on Chemometrics
		The major objective of the DRUSHBAMETRICS (which means "friendship-metrics") winter schools (there will be altogether five winter schools in the period 2002-2006) is to provide young scientists (and specialists) an opportunity to study the background of chemometric multivariate data analysis.
		On February 2001 the workshop with similar scope was held in Moscow.
		Multivariate data analysis and its many applications - in chemometrics, technometrics, biometrics, econometrics, envioronmetrics - is a modern approach which today is used in many different fields of human activity.
	www.chemometrics.ru /drushbametrics/wsc1/wsc_eng.htm (865 words)

	Chemometrics and Statistics
		I will provide a historical perspective of chemometrics (and other -metrics), starting already in the 19th century, talking in particular about the interplay between statistics and problems from chemistry, but also about some lack of interplay in more recent years.
		I will also talk about the character of the statistical problems of modern chemometrics, why statisticians should study them and will benefit from it, and perhaps some statistical challenges.
		Another question to be discussed is the role of chemometrics outside applications in chemistry.
	www.dina.kvl.dk /~per/chemstat (846 words)

	Bristol Centre for Chemometrics
		The best selling book, Chemometrics : Data Analysis for the Laboratory and Chemical Plant was published by Wiley early in 2003 and is already in a third printing.
		As of October 2003, the group has been renamed the Centre for Chemometrics to reflect the enhanced level and breadth of research activities, and moved into new custom built space.
		We are pleased to be able to offer an add-in for the popular Excel spreadsheet, which provides several common chemometric tools.
	www.chm.bris.ac.uk /org/chemometrics (332 words)

	Informatics Modelling and QSAR - Cheminformatics, Chemometrics and Structure-Activity Relationships (Site not responding. Last check: 2007-10-09)
		At the simplest level, it involves using knowledge obtained from data in a predictive way to solve a defined problem.
		Chemometrics is the application of these methods for the analysis of molecular and analytical data.
		It can be used to predict test properties from information rich sources, particularly spectra, and can lead to fewer overall analytical measurements being required.
	www.intertek-cb.com /newsitetest/services/asg/qsarinformatics.shtml (313 words)

	RMIT - Chemometrics in Australia
		According to the International Chemometrics Society (ICS), "Chemometrics is the science of relating measurements made on a chemical system or process to the state of the system via application of mathematical or statistical methods."
		Applications of chemometric methods to qualitative and quantitative spectroscopic analysis of polymers and environmental samples.
		The two main chemometric journals are Chemometrics and Intelligent Laboratory Systems and Journal of Chemometrics.
	www.rmit.edu.au /browse?SIMID=3zr631eabxo6 (1627 words)

	Chemometrics
		Perhaps the first thing one learns when studying chemometrics is that data and information are two different things.
		Another term used for chemometrics is multivariate data analysis.
		Although mathematical modelling is an important part of chemometrics, visualisation of the results in easily interpretable plots plays an equally important part.
	www.kj.uib.no /research/chemometrics (550 words)

	Homepage of Chemometrics, Tutorials (Site not responding. Last check: 2007-10-09)
		Chemometrics; what do we mean with it, and what do we want from it?
		Chemometrics and Intelligent Laboratory Systems, Volume 30, Issue 1, Pages 1-196 1995
		Many thanks to all of you who have contributed and made it the most popular non-commercial chemometrics website with one goal only, to spread the word of chemometrics and make it more available to the general scientific community.
	www.acc.umu.se /~tnkjtg/chemometrics/tutorials.html (313 words)

	Chemometrics Group in Semenov Institute of Chemical Physics
		The next Winter Symposium on Chemometrics (WSC-5) will be held in Samara.
		On April 19, 2005, in the framework of the exhibition AnalyticaExpo, a one-day conference "Chemometrics and Process Analytical Technology" was held.
		The next, fifth Winter Symposium on Chemometrics in Russia (WSC-5) be held near Samara city, February 18-23, 2006.
	rcs.chph.ras.ru /ICP/english.htm (474 words)

	Chemometrics and Process Analytical Chemistry at East Carolina University
		Gemperline's research interests lie in developing chemometric methods for monitoring, understanding, and controlling evolving chemical systems and chemical processes, especially batch chemical reactions and processes used in manufacture of pharmaceutical products.
		Chemometrics is an interdisciplinary approach to solving problems in chemical analysis through the use of physical/chemical measurements, multivariate statistics, numerical analysis, and computer science.
		The ultimate goal of research in chemometrics is to find new, powerful ways to extract information from data.
	personal.ecu.edu /gemperlinep/Research/gemper_research.html (301 words)

	chemolinks
		Chemometrics at the University of South Carolina - USA
		Chemometrics at Umeå University - Umeå University, Sweden
		LCM - Laboratory for ChemoMetrics - University of Wien
	www.disat.unimib.it /chm/links/chemolinks.htm (254 words)

	MathWorks: Chemometrics Toolbox (Site not responding. Last check: 2007-10-09)
		Includes core methods for chemometric calibration and analysis.
		The Chemometrics Toolbox was developed by Richard Kramer, a consultant who has been working with chemometrics since 1983.
		It began as a set of tools to help his clients develop quantitative calibrations for a variety of sophisticated, online process analyzers.
	www.ccr.jussieu.fr /ccr/Documentation/Calcul/matlab5v11/docs/00052/052a1.htm (344 words)

	Chemometrics in Bergen - publications
		Nodland, F.O. Libnau og O.M. Kvalheim: Resolution of infrared profiles from variable temperature experiments on mixtures and conformers in rapid equilibrium by compensating for thermal and solvent effects.
		Harald Kallevik (1999) Characterisation of crude oil and model oil emulsions by means of near infrared spectroscopy and multivariate analysis.
		Øivind Midttun (1999) A physical-chemical and chemometric study of interfacially active components in crude oils.
	www.kj.uib.no /chemometrics/publications.htm (2328 words)

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