27.
dos Reis M. M., Ferreira M. M. C., Sarmento Silene B. S., “A methodological multi-way analysis of Cassava Starch properties”. Copenhagen, Denmark, 19-23/08/2001: 7^th Scandinavian Symposium on Chemometrics (SSC7), Book of Abstracts, A76 (2001). Poster P36.

28.

Bruni A. T., Ferreira M. M. C., “Omeprazole and analogue compounds: A QSAR study of activity against helicobacter pylori using theoretical descriptors”. Copenhagen, Denmark, 19-23/08/2001: 7^th Scandinavian Symposium on Chemometrics (SSC7), Book of Abstracts, A45 (2001). Poster P5.

29.

dos Reis M. M., Ferreira M. M. C., “PARAFAC with splines: A case study”. Copenhagen, Denmark, 19-23/08/2001: 7^th Scandinavian Symposium on Chemometrics SSC7, Book of Abstracts, A22 (2001). Oral A22.

30.

Kiralj R., Ferreira, M. M. C., “QSAR of progestogens: Use of a priori and computer molecular descriptors and molecular graphics”.Copenhagen, Denmark, 19-23/08/2001: 7^th Scandinavian Symposium on Chemometrics (SSC7), Book of Abstracts, A10 (2001). Oral A10.

The conference site is available at: http://www.ssc7.dk/
Below is a simplified version of this site.

7^th Scandinavian Symposium on Chemometrics		http://www.ida.dk/
	K-Gruppen	http://www.kgruppen.dk/
	DSK	http://www.kemometri.org/

CONFERENCE ANNOUNCEMENT

Scope

The first Scandinavian Symposium on Chemometrics was held in 1989 in Lappeenranta, Finland, while successive symposia were held in the three Scandinavian countries: Bergen 1991, Århus 1993, and Lund 1995. In 1997 Finland began a new round in Lahti, followed by Porsgrunn in Norway in 1999.Copenhagen is now hosting the seventh symposium on chemometrics held in the Nordic countries.

These symposia form a significant part of Chemometrics in Scandinavia, and fellow chemometricians have always shared their experience in professional, as well as social pursuits covering a very broad range. The first time in Copenhagen the organisers of SSC7 will do their utmost to stimulate activities in all relevant fields during the course of the symposium so as to stimulate collaboration and exchange of ideas across disciplinary, as well as national boundaries.

Registration during the symposium

Registration takes place at the entrance of the IDA building during the following hours:

	Sunday August 19	15.00 – 18.00
	Monday August 20	08.00 – 17.00
	Tuesday August 21	08.00 – 09.00
	Wednesday August 22	08.00 – 09.00
	Thursday August 23	09.00 – 09.40

Scientific Programme

The opening reception is held Sunday 19^th at Planetariet in the center of Copenhagen close to Vesterport Train Station:

18.30 - 18.55 Arrival at Planetariet

19.00 - 20.00 Film event
20.00 - 22.00 Reception continues at Planetariet

The SSC7 will officially open on Monday August 20 at 09:40, and a total of 40 papers will be presented in oral sessions under the following subject headings:

A total of 6 invited speakers will give an overview of significant aspects of contemporary chemometrics:

Lars Munck, Royal Veterinary and Agricultural University, Denmark "Exploratory data analysis"

Olav Kvalheim, University of Bergen, Norway "New trends in analytical chemometrics"
Age Smilde, University of Amsterdam, Holland "A framework for multiblock component models"
Klaas Faber, Wageningen University, Holland "Use of Monte Carlo simulations in chemometrics"
John MacGregor, McMaster University, Ontario, Canada "Latent variable methods in chemometrics"
Svante Wold, University of Umeå, Sweden "New and old trends in chemometrics"

All oral sessions are plenary, but an additional 43 papers will be exhibited as posters throughout the conference and these will be open for discussions every day before the beginning of the afternoon sessions. The scientific programme will be officially closed on Thursday August 23 at noon.

Courses

As an introduction to the SSC7 meetings independent course organizers hold one-day courses at the IDA conference site:

Applied multi-way analysis by Eigenvector Research Inc., USA

This course provides a basic understanding of commonly used 3-way techniques including PARAFAC, N-PLS, GRAM etc. Course price 3000.00 DKK. Contact person: Barry M. Wise, email: bmw@eigenvector.com.

An introduction to multi-component analysis by Pattern Recognition Systems AS

Multidetection instruments, such as GC-MS and HPLC-DAD, produce huge data sets. Often, the chromatographic separation is not sufficient to enable identification and quantification of all the chemical components in a sample. The techniques demonstrated at this course resolve data containing incompletely separated components into pure profiles. Identification and quantification is then possible without any additional laboratory work. The methods are demonstrated on real data using commercially available software. Course price 2000.00 DKK. Contact person: Dr. Bjørn Grung, Tel: +47 55 54 39 60, Fax: +47 5554 3961, email: bjorn.grung@kj.uib.no

You may register for the courses at all times by contacting the respective contact persons directly.

Exhibition

The SSC7 intends to host exhibitions from companies that serve the chemometrics community with professional advice and dissemination of information. Exhibitors contribute to the SSC7 scientific and social activities, while also being de facto participants in the SSC7.

Participants

The Danish Chemometric Society welcomes participants not only from their own members and their sister societies in the Nordic countries, but also from universities and other academic and professional bodies involved in research and development, as well as in process control. As with all previous symposia we are pleased to have chemometricians from other countries attend our meetings, and therefore the symposium language is English, and proceedings will be published in an international scientific journal.

Contributions

Both oral and poster presentations are invited to submit manuscripts for publication in the SSC7 proceedings.Contributions will be peer reviewed in accordance with the editorial policy of Journal of Chemometrics, and the conference proceedings will be published as a separate volume within a year after the SSC7. Important: All papers to be included in the Proceedings must be submitted to the secretariate before September 7th, 2001. Instructions to authors can be found at http://www.interscience.wiley.com/jpages/0886-9383/authors.html, with a requirement of max. 7000 words. The submission date and the length of paper are non-negotiable.

Registration

The number of participants is limited by the size of the IDA Conference room; it is therefore advisable to register early. Advance registration takes place only via http://www.ssc7.dk and the rates are as follows:

	Before May 23	After May 23
Professionals	DKK 4800	DKK 6000
Bona fide students, incl. PhD	DKK 3200	DKK 4000

Registration fees include:

participation in all SSC7 conference sessions
complimentary coffee or tea during morning and afternoon breaks
lunch at the SSC7 conference site
all social activities, including SSC7 banquet
a copy of the SSC7 Proceedings to be forwarded in the summer of 2002.

A limited number of accompanying partners may register for the social activities only at a cost of DKK 1400 before and DKK 1750 after May 23. Registration on location begins on August 19 Sunday 15:00 - 18:00, and on Monday August 20 from 08:00 at the SSC7 Secretariat. The registration fee is DKK 6000, unless you have registered in advance. The following credit cards are accepted: Visa, Master, Diners The official name badges must be worn at all times, since they serve as access control for all SSC7 activities. Cancellations prior to July 1^st will be refunded except DKK 1000. Cancellation later than July 1^st will not be refunded under any circumstance.

Accomodation

Accommodation is scarce in Copenhagen during summer months, but the organizers have made advance bookings in a number of hotels, covering the range from youth hostel to luxury. It is therefore advisable - but of course not mandatory - to book hotels at the same time as the registration; rates and other pertinent information is found at the same Internet site as the registration.

Location

The scientific conference activities of the SSC7 take place at the IDA building (Ingeniørforeningens Mødecenter) in their new domicile at the harbour front in central Copenhagen. The conference area is situated on the ground floor.

As the headquarter of the Danish Society for Engineers - IDA - this building was completed in 1999 and has already earned a reputation for its excellent facilities, as well as its outstanding location. The complete address is: Ingeniørforeningens Mødecenter, Kalvebod Brygge 31-33, DK-1780 København V. More info can be found at www.ida.dk.

Within walking distance from the Air Terminal at the Central Railway Station the IDA building can also be reached by bus lines 8 and 46 from the Copenhagen City centre.Limited parking is available right in front of the building at a cost of DKK 7 per hour during working hours.
The mailing address and other communication lines to the SSC7 during the conference can be found at the bottom of this page.

Miscellaneous

Clothing: City dress is needed neither for the scientific nor the social programme; a light raincoat or umbrella is recommended.
Language: The symposium language will be English; no interpretation or translation from Scandinavian or other languages is provided.
Currency: Although not a member of the European Monetary Union the Danish krone (DKK) maintains a fixed rate in relation to the Euro, i.e. 1EUR = 7.46 DKK
Visa: Participants from countries that need an entry visa for Denmark should contact the Danish diplomatic representation in their own country as soon as possible.

Sponsors

Otto Mønsted Foundation

Lundbeck A/S
Foss Electric A/S
Radiometer Medical A/S
Danish Meat Research Institute
City of Copenhagen

Organisation

Symposium Chairman

Lars Nørgaard, Copenhagen

Scientific Committee

Agnar Höskuldsson, Lyngby
Olav M. Kvalheim, Bergen
Pentti Minkkinen, Lappeenranta
Michael Sjöström, Umeå
Kim H. Esbensen, Porsgrunn

Organizing Committee

Carsten Ridder
Claus A. Andersson
Ivan Christensen
Joan Grønkjær Pedersen
Kaj Heydorn
Rolf Singer

Symposium secretariat

Danish Chemometric Society
c/o Birgitte Magnér-Egeberg
Ingeniørforeningen i Danmark
Kalvebod Brygge 31-33
DK-1780 København V

Communication

Telephone
Telefax
E-mail
Website

+45 3318 4848
+45 3318 4899
bme@ida.dk
http://www.ssc7.dk/

Conference Programme


20 August 2001		21 August 2001		22 August 2001		23 August 2001
Monday		Tuesday		Wednesday		Thursday
8:00	Registration
		09:00	New algorithms I ''Use of Monte Carlo simulations in chemometrics'' Klaas Faber	09:00	Process control II ''Latent variable methods in chemometrics: Theoretical foundations and practical implications'' John F. MacGregor
9.40	*Opening of SSC7*	09:40	''Applicational aspects of support vector machines'' Anton I. Belousov	09:40	''Sorting of raw materials based on the predicted end product quality'' Ingunn Berget	9:40	Uncertainty ''Case studies in the application of maximum likelihood principal components analysis'' Peter D. Wentzell
10:00	*Opening lecture* ''Exploratory data analysis - Addressing the context in which chemometrics works'' Lars Munck	10:00	''Static PLSR optimization based on Kalman filtering theory and noise covariance estimation'' Rolf Ergon	10:00	''Development of on-line image analytical industrial process monitoring calibrated against structurally correct sampling of heterogeneous materials'' Kim H. Esbensen	10:00	''Simple interval calculation - A method for linear modeling'' Oxana Ye. Rodionova
		10:20	Coffee break	10:20	Coffee break	10:20	New algorithms II ''Important and influential variables and samples in latent structure models'' Agnar Höskuldsson
10:40	Coffee break					10:40	''Decomposition of spectra using maximum autocorrelation factors'' Rasmus Larsen
10:40	Coffee break	11:00	''MILES: A general approach to maximum likelihood estimation'' Rasmus Bro	11:00	''Batch process monitoring using multivariate analysis. Recent developments and acceptance in industry.'' Theodora Kourti	11:00	Coffee break
11:20	Applications ''Resolution of proton LCNMR by multivariate means'' Christian Y. Airiau	11:20	''Strategies in modelling dynamic systems'' Satu-Pia Reinikainen	11:20	''On-line batch fermentation process monitoring - Prediction of 'Biological Time''' Pia Jørgensen	11:00	Coffee break
11:40	''Multivariate analysis of quality'' Harald Martens	11:40	''Combining bilinear modeling and ridge regression'' Martin Høy	11:40	''Dealing with missing data in MSPC: Several methods, different interpretations, some examples'' F. Arteaga	11:40	''Independent Component Analysis - A new valuable tool in data analysis or the Emperor's new clothes?'' Frank Westad
12:00	''The reliability of naïve assessors in sensory evaluation using multivariate data analysis'' Maurice G. O’Sullivan	12:00	''Non-linear partial least squares (estimation of the weight vector)'' Per Hassel	12:00	''Spectra of wavelet scale coefficients of process acoustic measurements as input for PLS modelling of pulp quality'' Anders Björck	12:00	''Orthogonal-PLS (O-PLS) for removing irrelevant variation in X variables'' Johan Trygg
12:20	Lunch	12:20	Lunch	12:20	Lunch	12:20	''A discussion on orthogonal signal correction'' Johan A. Westerhuis
						12:40	Closing of SSC7
						13:00	Lunch

13:20	Poster session	13:20	Poster session	13:20	Poster session
14:20	Process Control I ''A framework for multiblock component models'' Age Smilde	14:20	N-way analysis ''Automated curve resolution of multi-way data and prediction of biological properties from the resolved profiles'' Olav Kvalheim	14:20	New and Old ''New and old trends in Chemometrics'' Svante Wold
15:00	''Process performance monitoring in the presence of confounding variation'' Baibing Li	15:00	''Rapid and unique curve resolution of low field NMR T2-components'' Søren Balling Engelsen	15:00	''100 years old and still a cutting edge method: Principal component analysis in gene expression analysis'' Jürgen von Frese
15:20	''Data mining issues on modern multivariate online industrial process control'' Franck Torre	15:20	''A modified alternating least-squares (MALS) algorithm: Draining the swamps in multiway analysis'' Philip Hopke
15:40	Coffee break	15:40	Coffee break
16:20	QSAR ''Multivariate Biological Profiling and Constrained Principal Response Profile Regions of PCBs'' Lennart Eriksson	16:20	''PARAFAC with splines: A case study'' Marlon M. Reis
16:40	''Analysis of short protein sequences using multivariate batch modeling'' Tarja Rajalahti	16:40	Variable selection ''Variable selection based on genetic algorithms. Study on wavelet coefficient and principal component regression'' U. Depczynski
17:00	''QSAR of progestogens: Use of a priori and computed molecular descriptors and molecular graphics'' Rudolf Kiralj	17:00	''Optimal choice of multiple filters for measuring chemical substances'' Henrik Öjelund	17:00	Departure from IDA for the Conference Dinner
17:20	''A combinatorial approach for drug discovery - based on multivariate methods'' Torbjörn Lundstedt

		18:00	City Hall Pancakes

List of SSC7 participants (from the LQTA lab)

Listed in alphabetical order according to lastname. In case you wish to update or complete your personal information, please see below.



Name Prof. Dr. Márcia M. C. Ferreira Affiliation Universidade Estadual de Campinas Instituto de Química Address Campinas, SP 13083-970 Phone 5501937883102 Email marcia@iqm.unicamp.br	Name Mr. Marlon M. Reis Affiliation Chemistry Institute - UNICAMP Address Cidade Universitária Zeferino Vaz, s/n Campinas-SP- CEP(ZIP):13083-970 -Caixa postal(PO Box):6154 Phone Email marlon@iqm.unicamp.br	Name Dr. Rudolf Kiralj Affiliation Instituto de Química Address UNICAMP 13083-970 Phone 551937883102 Email rudolf@iqm.unicamp.br