Projects / Programmes
January 1, 1999
- December 31, 2003
| Code |
Science |
Field |
Subfield |
| 1.04.00 |
Natural sciences and mathematics |
Chemistry |
|
| Code |
Science |
Field |
| P003 |
Natural sciences and mathematics |
Chemistry |
Researchers (3)
| no. |
Code |
Name and surname |
Research area |
Role |
Period |
No. of publicationsNo. of publications |
| 1. |
18591 |
PhD Neva Grošelj |
Chemistry |
Researcher |
2002 - 2003 |
52 |
| 2. |
11733 |
PhD Matjaž Kunaver |
Materials science and technology |
Researcher |
2001 - 2002 |
339 |
| 3. |
01359 |
PhD Jurij-Janez Zupan |
Chemistry |
Head |
2001 - 2003 |
480 |
Organisations (1)
| no. |
Code |
Research organisation |
City |
Registration number |
No. of publicationsNo. of publications |
| 1. |
0104 |
National Institute of Chemistry |
Ljubljana |
5051592000 |
20,982 |
Abstract
The program CHEMOMETRICS is the frame for a basic and applicative research of the only research group in this field in Slovenia. Following the trends of increasing importance of quality control and quality assurance linked with modern statistical methods we have introduced the chemometric research in Slovenia already in the early 70-ties. Mathematical, computational, statistical, and AI (artificial intelligence) methods are dealing with descriptive and predictive statistics, experimental design, modelling of linear and non-linear systems, artificial intelligence and pattern recognition, artificial neural networks and any type of optimisations (analytical, SIMPLEX, genetic algorithm, etc.). The basic research in chemometrics can serve as the »infrastructure« to many scientific fields (natural sciences, life-sciences, and even social sciences and humanities) and is thus regarded as inherently interdisciplinary. We have even made a quite successful application of neural networks in linguistics (analysis of the variability of declination forms on various word types of the Slovenian language) and clustering of various archeological samples (amphoras, ceramic material etc.). The group is among the 10 leading chemometric groups in Europe (DL Massart, Vrije Universiteit Brusels; P. Willet – University of Sheffield; S. Wold – Umea University, K. Varmuza - Technische Universitaet Wien, LMC Buydens Chatolic University Nijmegen, XF Rius – University Rovira i Virgil, Tarragona E. Pretsch – ETH Zuerich M. Forina Iniversity of Genoa, R. Phan Tan Luu – university of Marsille, W. Weggscheider – University of Leoben, etc.). The Chemometric group has published scientific six books (with Wiley, Elsevier, Ellis Horowood, etc.) more than 170 papers, the scientists in the group are members of several editorial boards and have maintained over 180 reviews for many international scientific journals in the field of analytical and computational chemistry. At the moment the research is performed in the directions of:
? artificial neural networks with the emphasise on the interpretation of the weight maps,
? developing various uniform and reversible representations of 3-D chemical structures.
? visualisation and fast-and-intelligent retrieval of multivariate objects, and
? optimisation of multivariate and non-linear systems.
Most important scientific results
Final report
Most important socioeconomically and culturally relevant results
Final report
