n Chemometrics and Intelligent Laboratory Systems L

metric measurement of catalytic cur-

rents sometimes combined with ad- sorption preconcentration.

Chemometric methods are begin- ning to be applied by several other research groups at different universi- ties in Brazil. These include the

Federal University of Rio de Janeiro, Federal University of Pernambuco, State University of SPo Paul0

(Araraquara), Fluminense University

and State University of Londrina.

Certainly the advancement of

chemometrics in a developing coun- try is hampered by problems that are not common in other parts of the

world. The most serious are lack of access to a variety of up-to-date equipment and software. In fact the importation of the SIMCA-3B pro- gram by the author took approxi- mately three years. In spite of this,

the interest in chemometrics by the Brazilian chemical community is in-

creasing. The Brazilian Chemical As-

sociation has decided to emphasize chemometrics by inviting a plenary lecturer from abroad for their annual

scientific reunion in October 1988 in

Porto Alegre.

ROY E. BRUNS Znstituto de Quimica,

UNICAMP, CP 6154, 13.081- Campinas, Brazil

-

m Meeting Reports

PLS Model Building: Theory and Application, Frankfurt am Main, F.R.G., 23-25 September 1987

The symposium ‘PLS (Partial Least Squares) Model Building: The- ory and Application’ was held in

Frankfurt am Main, F.R.G., from 23-25 September 1987. The organiz-

ing committee consisted of Werner Meissner and Reinhard Hujer (De- partment of Economics, Johann

Wolfgang Goethe University, Frank- furt am Main, F.R.G.) and Herman

Wold (Department of Statistics, Uppsala University, Sweden). The site was the Gastehaus of the Univer- sity, a large villa situated in a resi- dential part of central Frankfurt with lecture rooms and catering facilities. The participants of the meeting were many of the early PLS pioneers, some PLS newcomers and some users of Herman Weld’s fix-point method. Participation was by personal invita- tion only. The meeting was almost entirely sponsored by ‘Stiftung Volkswagenwerk’.

The program of the meeting con- sisted of the following talks: - “A latent variable regression mod-

el of nineteenth century economic

development” by Irma Adelman, Jan-Bernd Lohmoller and Cynthia Taft-Morris. “Why LCD-growth rates differ - measuring ‘unmeasurable’ influen- ces” by Vincenz Timmermann and

Eberhard Scholing. “Application of soft modeling to Kornai’s shortage theory” by Jozef

Rogowski. “The foreign trade structure and economic development - the PLS soft-model” by Z. Ejsmont and

Jozef Rogowski. “Shortage: what is it, where does

it come from, and what does it do to the economy?” by Tomasz

zylicz. “The concept of model” by Svante Wold and Harald Martens. “Jackknifing of some econometric estimators” by Reinhold Berg- strom. “Convergence properties of PLS” by Fred Bookstein. “ FP-estimation of RE-models: classical asymptotics, bootstrap- ping and Tukey’s jackknife. The-

ory and applications” by Manfred

Losch and Bernd Bliimel. “Comparative study of Tukey’s jackknife standard error and Stone-Geisser’s test on predictive

relevance vs. other methods of model evaluation” by Yngve Abrahamsen. “PLS modeling with latent varia- bles in two or more dimensions” by Svante Wold, Sven Hellberg, Torbjorn Lundstedt, Michael Sjijstriim and Herman Wold. “PLS estimation of Gerhard Mensch’s bi-equilibrium model”

by Gerhard Mensch. “PLS and the structure analysis of contingency tables” by Jean-Luc Bertholet. “PLS modelling in the calibration of analytical instruments” by

Harald Martens. “Principal theory of my work” by

Herman Wold. “The coordinate free approach to linear models and its relevance to PLS” by Menyn Stone. “Dynamic factor models with slided time horizons” by Margit Ziermann, Gyorgy Bankiivi and Jozsef Velicky. Comments on previous talks (no title) delivered by Bernd Schips and Camilo Dagum.

Monitor n

Fig. 1. Herman Wold, the pioneer of PLS, giving his lecture at the Frankfurt meeting (photo P. Geladi).

- “On the rationale of PLS model- ing” by Fred Bookstein.

_ “Soft modeling on multivariate images” by Paul Geladi, Kim

Esbensen and Svante Wold. _ “Evaluation of school systems

using partial least squares: an ap- plication in the analysis of open

systems” by Richard Noonan.

- “Application of partial least

_ “ Predicting classroom behaviour ratings by prenatal alcohol ex-

posure: latent variable modeling and nonlinear scaling” by Paul Sampson, Ann Streissguth, Silvia Vega-Gonzalez, Helen Barr and Fred Bookstein.

Computer Simulations in Protein Engineering and Drug Design, Amsterdam,

squares methodology to the behav- ioral teratology of alcohol” by Paul

All the lectures had written

Sampson, Ann Streissguth, Helen Barr and Fred Bookstein. An interesting aspect of the meet-

ing was that different disciplines of science were drawn together to dis-

cuss their vision of PLS and its uses

and to measure these visions against each other. The result was that many participants left the meeting with useful tips on how to use and modify PLS for problem definitions other than their usual ones. This will prob- ably have a great influence on future developments.

The Netherlands, 20-23 April 1988

Computer simulations are becom- and drug design. This was the major ing more and more important in cru- conclusion of the symposium organ- cial areas such as protein engineering ised by mini-supercomputer producer

hand-outs. It was decided that no proceedings volume of this sym- posium will be published. The authors of the papers were encouraged to publish their papers individually.

More information can be obtained from the individual contributors via

the organizing committee.

PAUL GELADI Research Group for Chemometrics,

Ume6 University, UmeS, Sweden

Alliant. Organiser Paul Weiner (Al- liant’s ‘Computational Chemistry’ person) had succeeded in attracting a number of outstanding speakers for the meeting.

There were two major themes at the conference: structure elucidation of biomolecules and free-energy calculations. Both are aimed at ob-