header image
Home
Johan Trygg awarded with the Herman Wold medal in gold
Written by Johan Trygg   
Monday, 06 July 2009
The Swedish Chemical Society awarded Johan Trygg with the most prestigious international award for researchers in chemometrics. The medal in pure gold was presented by the Swedish Chemical Society at the international Scandinavian Symposium on Chemometrics SSC11, in Loen, Nordfjord, Norway, on June 10th 2009.
Last Updated ( Wednesday, 08 July 2009 )
Read more...
SSC11, Loen, Nordfjord, NORWAY, June 8-11, 2009
Written by Johan Trygg   
Saturday, 07 March 2009

Fellow chemometricians,
On behalf of the organizers, it is my pleasure to invite you to the 11th Scandinavian Symposium on Chemometrics:
http://www.kj.uib.no/ssc11

The program is finalized, but we still accept some late poster contributions.We have approx. 100 excellent contributions for the conference and also three high-quality pre-conference courses.

Last Updated ( Saturday, 07 March 2009 )
Read more...
The Use of Virtual Calibrations to Facilitate Understanding of Factor Analysis
Written by Jonas Schenk, Michal Dabros, Ian W. Marison* and Urs von Stockar   
Monday, 05 March 2007

Factor Analysis (FA), which includes Principal Component Analysis (PCA) and Partial Least Squares (PLS), is more and more employed in academia and industry for various purposes such as spectrometer calibration, process modeling, data mining, quality control, etc. While software offering friendly interfaces have contributed to make this approach extremely popular, FA remains far from being straightforward, and examples of inappropriate use are not rare.

Last Updated ( Saturday, 08 November 2008 )
Read more...
<< Start < Prev 1 2 3 Next > End >>

Results 1 - 4 of 11
Search website
Editorial flash
Can we use the regression coefficient profile for selecting PLS components?
The linear model y=Xb + f is often used in chemometrics. Unfortunately, we have put too much emphasis on the importance of the regression coefficient profile b, and mistakenly assumed or believed that it should be a good estimate of the "pure profile". This is not true, and I will argue why in later editorials. But this time, I want to address an earlier question that was posed in relation to the regression coefficient profile.
Read more...
News flash
Kick-off for Chemometrics.se
I am very pleased to announce the official kick-off for Chemometrics.se. You will recognize many "old" features such as the popular Tutorial section, but we have also added a new Editorial section, with more focus on being an Editorial, rather than a tutorial.
Read more...
Tutorial flash
Statistical Molecular Design, part 3
The design of a training set intended for QSAR according to the principles of SMD, makes it possible to explore - in a systematic way - the structure-activity relationships within the data-set in question. By interrogating the resulting QSAR model it is then possible to extract clues of how to modify the chemical properties of the compounds in order to possibly enhance their biological activity profile.
Read more...