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Chemometrics

December 2004

Homepage of Chemometrics has moved to a new website,

www.chemometrics.se

Please, update your bookmarks,

best regards, Johan Trygg,
HoC Webmaster

Editorials on Chemometrics
- and related areas

2004
2003
2002
Yearbook (2002)


Download the 2002 Editorial Yearbook! (pdf 6Mb)


| Links to other Editorials on Chemometrics | | More useful info in the Tutorials section |

Do you want to write an Editorial or suggest a specific subject? Contact us!

November 2004

[download pdf]

Classification with Support Vector Machines

Simeone Zomer

Centre for Chemometrics, University of Bristol, UK

September 2004

[download pdf]

Prediction in linear models

Agnar Höskuldsson

IPL; DTU, Bldg 358, 2800 Kgs Lyngby, Denmark

July 2004

[download pdf]

PLS regression and the Covariance

Agnar Höskuldsson

IPL; DTU, Bldg 358, 2800 Kgs Lyngby, Denmark

May 2004

[download pdf]

Classification methods

Richard Brereton

Centre for Chemometrics
School of Chemistry, Cantock's Close, Bristol BS8 1TS,United Kingdom.

March 2004

[download pdf]

Centring and scaling of data

Agnar Höskuldsson

IPL, DTU, Blgd 358,
2800 Kgs. Lyngby, Denmark

January 2004

[download pdf]

New Year Editorial

Svante Wold,
Chemometrics Umeå University,
and Umetrics AB

November 2003

[download pdf]

Selection of subsets of variables in linear regression

Agnar Höskuldsson, IPL, DTU, Blgd 358,
2800 Kgs. Lyngby, Denmark

Sep 2003

[download pdf]

Chemometrics made easy

Understanding food consumption patterns in Europe with principal component analysis (PCA).

Johan Trygg, Ph.D
Research group for Chemometrics
Umeå University, Sweden

Aug 2003

[download pdf]

Variable subset selection in linear regression

Agnar Höskuldsson, ah@ipl.dtu.dk
IPL, DTU, Blgd 358, 2800 Kgs. Lyngby1
Denmark

July2003

[download pdf]

Model control of mathematical models

Agnar Höskuldsson, ah@ipl.dtu.dk
IPL, DTU, Blgd 358, 2800 Kgs. Lyngby1
Denmark

No Editorial - HoC summer break

The HoC Editorial column is taking a month off to relax and enjoy the summer. To not leave you empty handed, we have prepared two nice downloads. Both involve what is often paid too little attention in the scientific community, namely how to best present a poster or an oral talk.

May2003

[download pdf]

New horizons in industrial mathematics

Agnar Höskuldsson, ah@ipl.dtu.dk
IPL, DTU, Blgd 358, 2800 Kgs. Lyngby1
Denmark

April 2003

[download pdf]

Statistical Molecular Design – A Core Concept in Multivariate QSAR and Combinatorial Technologies.

Part V - Some Extensions and Recent Developments.

Lennart Eriksson*, Per M Andersson**,
Erik Johansson* and Torbjörn Lundstedt**

*) Umetrics AB, Umeå, Sweden, www.umetrics.com.
**) Melacure Therapeutics AB, Uppsala, Sweden, www.melacure.com.

March 2003

[download pdf]

Statistical Molecular Design – A Core Concept in Multivariate QSAR and Combinatorial Technologies.

Part IV - SMD: An Integral Part of CombC & HTS.

Lennart Eriksson*, Per M Andersson**,
Erik Johansson* and Torbjörn Lundstedt**

*) Umetrics AB, Umeå, Sweden, www.umetrics.com.
**) Melacure Therapeutics AB, Uppsala, Sweden, www.melacure.com.

February 2003

[download pdf]

Statistical Molecular Design – A Core Concept in Multivariate QSAR and Combinatorial Technologies.

Part III - QSAR-directed Virtual Screening

Lennart Eriksson*, Per M Andersson**,
Erik Johansson* and Torbjörn Lundstedt**

*) Umetrics AB, Umeå, Sweden, www.umetrics.com.
**) Melacure Therapeutics AB, Uppsala, Sweden, www.melacure.com.

January 2003

[download pdf]

Prof. Svante Wold's New Year Message
Some reflections about chemistry, "omics", "metrics",
and more.

Svante Wold
Research group for Chemometrics, Chemistry, Umeå University, Sweden

December 2002

[download pdf]

Statistical Molecular Design – A Core Concept in Multivariate QSAR and Combinatorial Technologies.

Part II - QSAR Applications

Lennart Eriksson*, Per M Andersson**,
Erik Johansson* and Torbjörn Lundstedt**

*) Umetrics AB, Umeå, Sweden, www.umetrics.com.
**) Melacure Therapeutics AB, Uppsala, Sweden, www.melacure.com.

November 2002

[download pdf]

Statistical Molecular Design – A Core Concept in Multivariate QSAR and Combinatorial Technologies.

Part I – General Principles and Application to Lead Optimization.

Lennart Eriksson*, Per M Andersson**,
Erik Johansson* and Torbjörn Lundstedt**

*) Umetrics AB, Umeå, Sweden, www.umetrics.com.
**) Melacure Therapeutics AB, Uppsala, Sweden, www.melacure.com.

October 2002

[download pdf]

Multivariate Solutions to Metabonomic Profiling
and Functional Genomics

Part 2 - Chemometric analysis & future perspectives

Henrik Antti, Elaine Holmes, Jeremy Nicholson
Imperial College, London

September 2002

[download pdf]

Multivariate Solutions to Metabonomic Profiling
and Functional Genomics

Part 1 - Introduction, data acquisition and processing

Henrik Antti, Elaine Holmes, Jeremy Nicholson
Imperial College, London

August 2002

[download pdf]

Introduction to Statistical Experimental Design
- What is it? Why and Where is it Useful?

Johan Trygg, Umeå University & University of Queensland

No HoC editorial this month (vacation), instead we referred you to Brereton's chemometrics column in The Alchemist

June 2002

[download pdf]

A statistician's view of the single-y PLS problem

Dick Kleinknecht, Weyerhaeuser Company

May 2002

[download pdf]

Wavelets in Chemometrics
- compression, denoising and feature extraction

Johan Trygg, Umeå University & University of Queensland

April 2002

[download pdf]

How to create an OSC filter for PLS
and end up with a new generic modelling method, O-PLS

Johan Trygg, Umeå University & University of Queensland

March 2002

[download pdf]

Everything you need to know about
Orthogonal Signal Correction (OSC) filters

- and how they can improve interpretation of your data

Johan Trygg, Umeå University & University of Queensland

February 2002

[download pdf]

Discussion Forum
Publications
Chemometrician's
Addressbook
Tutorials

Keep yourself fully informed about what topics are hot or not in chemometrics by joining some of the discussion groups that exist. The Discussion Forum provided on this website has been active since 1998, be sure to look in the archive with over 800 postings.

Other Chemometric related discussions sources on WWW

Our searchable database gives you the complete listing of the more than 500 publications from Prof. Svante Wold's research group at Umeå University, Sweden. It was last updated July 2003. Be sure to visit their website as well.

 

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First circular: SSC9, Reykjavik, Iceland
22-25 August 2005

The 9th Scandinavian Symposium on Chemometrics (SSC9) will take place in Reykjavik, Iceland on August 21-25 2005.

First circular can be downloaded (pdf)

Chair and co-chair are Agnar Høskuldsson and Margrét Þorsteinsdóttir.The conference website is http://www.conference.is/ssc9/.

HoC website more popular than ever...

Homepage of Chemometrics website reaches new record levels in the number of visits with an increase of almost 700% compared to 1999 (see Figure below). 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.
/HoC Webmaster


Click on Figure to enlarge

Webpick of the month

Earlier Picks in 2002-2003:
March/April/May/June/July/Aug./Sep./Oct./Nov/
Dec/Feb03/Mar03/Apr03/May03/July03
/Aug03/

Some of our feedback over the years ...
Results from polls 2002/2003
NIPALS mountain

The NIPALS mountain has been discovered in Northern Sweden!!
[Ref. Svante Wold, Sep 23 2002]

Relax and play

Play the classical Asteroids game (java). [play the game]

About this site
Issue: December Year: 2004
Editor: Johan Trygg © 1996-2004
 
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