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Chemometrics Division

If you are a biologist, chemist or engineer you may call it chemometrics, if you are a statistician you may call it multivariate data analysis, if you are a data scientist you may call it machine learning. These names all describe the same field, which aim is to generate knowledge and understanding of chemical or biological systems with application of statistical and mathematical approaches. Methods like principal components analysis, partial least squares, multiple linear regression, random forests and design of experiments have been workhorses in this area. Other methods such as support vector machines, self-organizing maps and artificial neural networks including recent developments in deep neural networks, may be new in the field, but at the same time they are natural extensions of approaches used so far in the chemometrics field.

Chemometrics methods can be applied in any area where analysis of complex chemical/biological data is needed, for example in materials science, process control, structure activity and structure property relationship studies, analytical method development, ‘omics’ analysis, etc. Chemometrics supports building of knowledge and understanding in chemistry, biology, medicine, physics, technology, and other science areas.

The Chemometrics division of The Swedish Chemical Society is a national organization established in 1992 with the aim to engage with people active in chemometrics, both from the point of view of methodology and applications. Another task of the division is to serve as an international contact with similar organizations active in chemometrics located outside Sweden.

Aktuellt

14th Herman Wold Medal in gold awarded to Dr. Barry M Wise

Dr Barry M. Wise, Eigenvector Research Inc., was awarded the 14th Herman Wold medal in gold ”for his pioneering contributions in Process Chemometrics and his extensive, deep commitment to the proliferation of Chemometrics.” This biannual prestigious award is given to an individual who has contributed significantly to the development and proliferation of Chemometrics. The prize ceremony was held on June 18 2019 at the SSC16 conference, Oslo, Norway (https://ssc16.org). The awardee was selected by board of the Chemometrics Division, Swedish Chemical Society

Motivation for Barry M Wise

Dr. Wise, has a PhD in Chemical Engineering from University of Washington, Seattle, USA. has been active in chemometrics since 1985. His research has focused largely on chemometrics in chemical process analysis, monitoring and control. E.g. he demonstrated PCA and PLS for monitoring systems to detect process upsets and failed sensors and introduced the term MSPC (multivariate statistical process control). His scientific contribution with 99 publications (H=33) cited 3700 times is impressive for a non-academic.

To proliferate and cultivate Chemometrics, scientists and engineers must be made aware of the benefits of the methods, have access to the methods and educated on the proper use. Barry has successfully achieved all three goals. Dr. Wise has through Eigenvector Research Inc, using PLS toolbox/Solo taught thousands of students how to apply chemometrics, from basic methods like PCA and PLS to advance non-linear methods like ANNs and SVMs. There are thousands of chemometrics users, from novices to experts, who have been impacted by the efforts of Barry Wise. These people span myriad industries from semiconductor, pharmaceutical, petrochemical, manufacturing, medical devices, agriculture, food and beverage, and automotive areas.

Barry has also received numerous awards and honorary recognitions including Chemometrics award at Eastern Analytical Symposium (EAS, 2001) and Chair of GRC on Statistics and Chemistry and Chemical Engineering (1995), CAC-2002).

Barry has dedicated 30 years to the chemometric community and is a true role model for students and scientists in sharing knowledge and through polite and logical argumentation in scientific discussion.

In conclusion, we find that Barry Wise is a most worthy receiver of the Herman Wold gold medal of 2019.

A list of earlier Herman Wold gold recipients is found below:

Svante Wold (SSC4, Lund, Sweden, 1995) Agnar Höskuldsson (SSC5, Lahti, Finland, 1997) Harald Martens (SSC6, Porsgrunn, Norway, 1999) John MacGregor (SSC7, Copenhagen, Denmark, 2001) Rolf Carlson (SSC8, Mariehamn, Åland, Finland, 2003) Olav Kvalheim (SSC9, Reykjavik, Iceland, 2005) Pentti Minkkinen (SSC10, Lappeenranta,Finlan 2007) Michael Sjöström (Euro-QSAR, Uppsala, Sweden, 2008) Johan Trygg (SSC11, Loen, Norway 2009) Rasmus Bro (SSC12, Billund, Denmark, 2011) Torbjörn Lundstedt (SSC13, Stockholm, Sweden, 2013) Gabriele Cruciani (SSC14, Sardinia, Italy, 2015) Veli-Matti Taavitsainen (SSC15, Naantalissa, Finland 2017)

Meet with Multivariate Data Analysis and Chemometrics on the West-Coast, 2

2019-05-14, kl. 16:00-18:00, place: 10:an, Kemihuset, Chalmers, Göteborg

Are you doing multivariate data analysis, machine learning or chemometrics? We would like to offer you the second occasion of the  seminar series from the Chemometrics section of Kemisamfundet. This time we would like to open the field for time series analysis with one presentation by Robert Zuban from Sartorius Stedim Data Analytics (former Umetrics) and another by Mats Josefson, employing time series analysis for sound from dose inhalers by AstraZeneca. We would like you to register through the Choodle link below to get the right amount of fika. You don’t need to be a member of Kemisamfundet to attend.

Please register using Choodle via this link: https://choodle.portal.chalmers.se/4aAADzviXLTwZXHc

Meet with Multivariate Data Analysis and Chemometrics on the West-Coast

2019-03-19, kl. 16:00-18:00, place: 10:an, Kemihuset, Chalmers, Göteborg

Are you doing multivariate data analysis, machine learning or chemometrics? We would like to offer you a brand-new seminar series from the Chemometrics section of Kemisamfundet. We live in exciting times for data analysis as more data than ever is present both in organized and non-organized ways on the Webb and at work. Wouldn’t it be a good idea to take part of seminars meet other persons interested in these topics. We would like you to register through the Choodle link below to get the right amount of fika. You don’t need to be a member of Kemisamfundet to attend.

Please register using Choodle via this link:  https://choodle.portal.chalmers.se/NmcboybRBurDmlDC

Time to nominate for the Herman Wold gold medal of 2019

The 14th Herman Wold gold medal will be presented to a chemometrician who has contributed significantly to the development and proliferation of Chemometrics including its synonyms Machine Learning and Multivariate Data Analysis for data‐driven approaches, with the work done in the spirit of Herman Wold. We encourage you to nominate individuals who you believe have contributed significantly to the field of Chemometrics. Nominations for the medal should be supported by at least one other person knowledgeable in the field. See here for complete information.

Deadline updated: The nominations should reach Herman‐Wold‐Medal‐Nomination@kemisamfundet.se, no later than March 15th  2019.

Decision on the award is made by the Board of the Chemometrics Division.

About us

Board members of the Chemometrics Division, Swedish Chemical Society:

Johan Trygg, Professor, Umeå University, Sweden

Sanela Kjellqvist, PhD, Karolinska Institutet, Sweden

Mats Josefson, PhD, AstraZeneca, Sweden

Mikael Karlsson, Vice President, Bestwood AB, Sweden

Anders Nilsson, PhD, Bruker Nordic AB, Sweden

Gunilla Wormbs, Director R&D, Essity Health and Hygiene AB, Sweden

Vill du ha mer information kontakta Mats Josefson.

Ordförande

 

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