Kurt VARMUZA

Laboratory for Chemometrics, Vienna University of Technology, Austria

Selected Papers 2000 - 2005

2011-09-29

Varmuza K.:

Progress in Chemometrics Research; Pomerantsev A.L. (Ed.);

Nova Science Publishers, New York, 67-87 (2005) <Paper 132>

Global and local chemometric models of spectra-structure relationships.

Abstract.

Varmuza K., Demuth W., Karlovits M., Scsibrany H.:

Croat. Chem. Acta, 78, 141-149 (2005). <Paper 131>

http://public.carnet.hr/ccacaa/CCA-PDF/cca2005/v78-n2/CCA_78_2005_141-149_Varmuza.pdf (134 kB)

Binary substructure descriptors for organic compounds.

Abstract.

Friedl A., Padouvas E., Rotter H. Varmuza K.:

Anal. Chim. Acta, 544, 191-198 (2005). <Paper 130>

Prediction of heating values of biomass fuel from elemental composition.

Abstract.

Varmuza K., Makristathis A., Schwarzmeier J., Seidler H., Mader R.M.:

Mass Spectrometry Reviews, 24, 427-452 (2005). <Paper 129>

Exploration of anthropological specimens by GC-MS and chemometrics.

Abstract.

Grassi P., Nuñez M.J., Varmuza K., Franz C.:

Flavour and Fragrance Journal, 20, 131-135 (2005). <Paper 128>

Chemical polymorphism of essential oils of Hyptis suaveolens from El Salvador.

Abstract.

Demuth W., Karlovits M., Varmuza K.:

Anal. Chim. Acta, 516, 75-85 (2004). <Paper 126>

Spectral similarity versus structural similarity: mass spectrometry.

Abstract.

Garkani-Nejad Z., Karlovits M., Demuth W., Stimpfl T., Vycudilik W., Jalali-Heravi M., Varmuza K.:

J. Chromatogr. A, 1028, 287-295 (2004) <Paper 125>

Prediction of gas chromatographic retention indices of a diverse set of toxicologically relevant compounds.

Abstract.

Varmuza K., Grzymala-Busse J.W., Hippe Z.S., Mroczek T.:

In Methods of Artificial Intelligence, Proceedings of the AI-METH 2003 Conference, 5-7 Nov. 2003, Gliwice, Poland; Burczynski T., Cholewa W., Moczulski W.; Eds.; Silesian University of Technology, ISBN 83-914632-7-3, Gliwice, Poland, 323-328 (2003) <Paper 122>

Comparison of consistent and inconsistent models in biomedical domain: A rough sets approach to Melanoma data.

Abstract.

Varmuza K., He Ping, Fang Kai-Tai:

J. Data Science, 1, 391-404 (2003) <Paper 121>

Online journal (Beijing, NewYork, Taipei)

http://www.sinica.edu.tw/~jds/JDS-173.pdf (118 kB)

Boosting applied to classification of mass spectral data.

Abstract.

Varmuza K.:

In Handbook of Chemoinformatics; Gasteiger J.; Ed.; Wiley-VCH: Weinheim, Vol. 3, p. 1098-1133 (2003). <Paper 120>

Multivariate data analysis in chemistry.

Info about the Book.

Varmuza K., Karlovits M., Demuth W.:

Anal. Chim. Acta, 490, 313-324 (2003). <Paper 119>

Spectral similarity versus structural similarity: infrared spectroscopy.

Abstract.

Scsibrany H., Karlovits M., Demuth W., Müller F., Varmuza K.:

Chemom. Intell. Lab. Syst., 67, 95-108 (2003). <Paper 118>

Clustering and similarity of chemical structures represented by binary substructure descriptors.

Abstract.

Stimpfl T., Demuth W., Varmuza K., Vycudilik W.:

J. Chromatogr. B, 789, 3-7 (2003). <Paper 117>

Systematic toxicological analysis: computer-assisted identification of poisons in biological materials.

Abstract.

Makristathis A., Schwarzmeier J., Mader R., Varmuza K., Simonitsch I., Chavez J.C., Platzer W., Unterdorfer H., Scheithauer R., Derevianko A., Seidler H.:

J. Lipid Res., 43, 2056-2061 (2002). <Paper 116>

Fatty acid composition and preservation of the Tyrolean Iceman and other mummies.

Abstract.

Varmuza K., Steiner I., Glinsner T., Klein H.:

Europ. Food Research Technol., 215, 235-239 (2002). <Paper 115>

Chemometric evaluation of concentration profiles from compounds relevant in beer ageing.

Abstract.

Sauter F., Varmuza K., Werther W., Stadler P.:

ARKIVOC, 2002 [1], 54-60 (2002). <Paper 114>

http://www.arkat-usa.org/get-file/18945 (179 kB)

Studies in organic archaeometry V: Chemical analysis of organic material found in traces on a Neolithic terracotta idol statuette excavated in Lower Austria.

Abstract.

Varmuza K., Kochev N. T., Penchev P.:

Anal. Sci., 17 [suppl.], i659-i662 (2001). <Paper 113>

Evaluation of hitlists from IR library searches by the concept of maximum common substructures.

Varmuza K.:

Anal. Sci., 17 [suppl.], i467-i470 (2001). <Paper 112>

Recognition of relationships between mass spectral data and chemical structures by multivariate data analysis.

Abstract.

Werther W., Demuth W., Krueger F. R., Kissel J., Schmid E. R., Varmuza K.:

J. Chemometrics, 16, 99-110 (2002). <Paper 111>

Evaluation of mass spectra from organic compounds assumed to be present in cometary grains. Exploratory data analysis.

Abstract.

Hippe Z. S., Kerste A., Varmuza K.:

Chem. Anal. (Warsaw), 46, 735-743 (2001). <Paper 110>

A new approach to applications of the pattern recognition methods in analytical chemistry. IV. Automatic identification of structural fragments in organic compounds.

Yoshida H., Leardi R., Funatsu K., Varmuza K.:

Anal. Chim. Acta, 446, 483-492 (2001). <Paper 108>

Feature selection by genetic algorithms for mass spectral classifiers.

Varmuza K., Kissel J., Krueger F. R., Schmid E. R.:

In Advances in Mass Spectrometry; Gelpi E., Ed.; Wiley & Sons: Chichester, Vol. 15, p. 229-246 (2001). <Paper 105>

Chemometrics and TOF-SIMS of organic compounds near a comet.

Penchev P. N., Varmuza K.:

Comp. Chem., 25, 231-237 (2001). <Paper 104>

Characteristic substructures in sets of organic compounds with similar infrared spectra.

Sauter F., Jordis U., Graf A., Werther W., Varmuza K.:

ARKIVOC, 2000 [5], 735-747 (2000). <Paper 103>

http://www.arkat-usa.org/get-file/19868 (86 kB)

Studies in organic archaeometry I: Identification of the prehistoric adhesive used by the "Tyrolean Iceman" to fix his weapons.

Varmuza K., Scsibrany H.:

J. Chem. Inf. Comput. Sci., 40, 308-313 (2000). <Paper 102>

Substructure isomorphism matrix.

Abstract.

Varmuza K.:

In Encyclopedia of Spectroscopy and Spectrometry; Lindon J. C., Tranter G. E., Holmes J. L., Eds.; Academic Press: London, p. 232-243 (2000). <Paper 101>

Chemical structure information from mass spectrometry.