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: Tree metabolite identification combats beetle devastation

The emerald ash borer is an invasive beetle that is currently destroying vast numbers of ash trees in North America. Scientists from Trent University, Peterborough and RB Consulting (both Ontario, Canada) used LC-MS to compare the metabolites from ash trees attacked by the insect with those from unaffected trees, thus providing a convenient method of early detection.

Read More thumbnail image: Last Month's Most Accessed Feature: Tree metabolite identification combats beetle devastation

2018 Free Sample Issues of Key Analytical Science Journals

The 2018 free sample issues of all our Analytical Chemistry journals are now available!

Read More thumbnail image: 2018 Free Sample Issues of Key Analytical Science Journals

Advertorial Feature

Wiley Spectra Lab:
The World's Largest Spectral Database

thumbnail image: <font size=3>Wiley Spectra Lab:</font><br/>The World's Largest Spectral Database

Wiley Spectra Lab is an expert spectral data system that uses empirical spectral data and advanced software to help chemists, toxicologists, and life scientists confidently identify chemical substances. Powered by the KnowItAll® analytical platform by Bio-Rad, Wiley Spectra Lab provides researchers with access to 2.2 million MS, NMR, and IR spectra – the broadest and largest collection in the world.

Read More

Ezines

rss

An overview is presented of existing de novo peptide sequencing algorithms and software tools ranging from peptide sequencing to sequence‐to‐protein mapping, highlighting limitations of current methods and discussing new directions for a wider acceptance of de novo sequencing in the community.

Toxicity testing: The algorithms have it

David Bradley

Aug 11, 2018

thumbnail image: Toxicity testing The algorithms have it

A US study shows that database analysis more reliable than animal testing for toxic chemicals and could lead to computer algorithms replacing standard toxicology tests.

Autism metabolites: Chemical analysis

David Bradley

Jul 15, 2018

thumbnail image: Autism metabolites Chemical analysis

A physiological test for autism spectrum disorder (ASD) was developed in 2017. Now an algorithm that extracts information from an analysis of a person's metabolic profile corroborates the findings and could lead to a new diagnostic approach allowing earlier medical intervention in children suspected of being on the spectrum.

View All Ezines

Education

rss

Selected key technologies of the analytical science industry are discussed by Steve Down with reference to burgeoning application areas and the scope for future improvements.

We are proud to announce a new series of educational webinars run in collaboration with Chromedia, COAST, and SciMind, a product of the American Chemical Society. These webinars will build into a must-have set of tutorial materials for the analytical scientist.

This glossary of chemometrics terms is provided with the permission of Bryan Prazen of the Synovec Group, Department of Chemistry, University of Washington.

View All Education Articles

Journals

rss

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.

View All Journals

Social Links

Share This Links

Bookmark and Share

Microsites

Suppliers Selection
Societies Selection

Banner Ad

Click here to see
all job opportunities

Copyright Information

Interested in separation science? Visit our sister site separationsNOW.com

Copyright © 2018 John Wiley & Sons, Inc. All Rights Reserved