Chemometrics & Informatics @ spectroscopyNOW

This channel covers research and development into all aspects of chemometric and informatic techniques used in chemical data analysis, including quality control and batch monitoring as well as experimental design and signal processing using PCA, MVA, PARAFAC, PLS, and LIMS.

Monthly Highlight

Last Month's Most Accessed Feature: Recent Perspectives and Reviews from the Journal of Chemometrics

Over the course of the last year, the the Journal of Chemometrics has published a series of perspective and review papers as well as a new regular column which includes a review of the origins of chemometrics and a back-to-basics primer.

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Journal of Chemometrics
Discover this international journal’s new Facebook page

“Like” us today and discover a forum for ideas and conversations on the most exciting papers published in the journal...

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Advertorial Feature

Compound Search

thumbnail image: <font size=3 color=black><b>Compound Search</b></font>

Two seconds here could save you months in the lab by using Wiley's Compound Search tool. Check the database coverage now... it's free!         We understand that you don't have time to wade through thousands of results. Compound Search's sole purpose is to tell you whether a compound appears in a specific database so that you'll know whether that database meets your needs. To speed this up, we provide exact structure matches only. Compound Search enables users to perform...

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Ezines

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Multivariate regression analysis has been used to investigate associations between reported food and drink consumption among 656 women in the first trimester of pregnancy and measures of urinary phthalate metabolite concentrations based on data from a multicentre cohort study, The Infant Development and Environment Study (TIDES). The conclusions, as is common with self-reported data, are mixed and new research is suggested.

A functional data approach has been applied to define the calibration curve and the limits of quantitation from mass spectrometric data, drawing on existing smoothing methods.

A personal view is given about the gradual development of projection methods — also called bilinear, latent variable, and more — and their use in chemometrics.

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Education

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Data analysis is a vital part of science today, and in assessing quality, multivariate analysis is often necessary in order to avoid loss of essential information.

The emphasis of this book is on understanding the principles and applications behind the main ideas in chemometrics, which can then be applied to a wide variety of problems in chemistry, chemical engineering and allied disciplines.

Factor analysis is a mathematical tool for examining a wide range of data sets, with applications especially important to the design of experiments (DOE), spectroscopy, chromatography, and chemometrics. In this free chapter from "Factor Analysis in Chemistry" Edmund Malinowski introduces the technique, declaring that "every problem has a solution"!

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Journals

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High quality, peer-reviewed original research, reviews and short communications in the fundamental and applied aspects of chemometrics ensure that this international journal is the journal of choice for chemists, statisticians and mathematicians working with chemical data.

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Webinars

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Quality in the Laboratory

Date: Aug 19, 2014 - 14:00

Quality is of extreme importance for labs. However, it is often seen as the responsibility of the quality manager and its importance and impact on your own work is not always well understood. In this webinar, Peter Kootstra will reinforce how quality can improve your performance and your work satisfaction.

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Blog

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Waters acquires 'intelligent knife' technology

Jon Evans

Jul 24, 2014

Waters has acquired the rapid evaporative ionization mass spectrometry technology behind the 'intelligent knife', a device for real-time diagnostics during surgery.

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Videos

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Pittcon 2014 Editors' Gold Award – Texas Instruments

Date: Mar 10, 2014

Eileen Skelly Frame talks with this year's Pittcon Editors' Award Gold winners, Texas Instruments, about their DLP NIR scan technology.

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