Kurt VARMUZA

Laboratory for Chemometrics, Vienna University of Technology, Austria

Selected Posters 2007 -

2024-06-18

2024

Varmuza K.*, Dehmer M., Filzmoser P.:

Dubrovnik (Croatia): Math/Chem/Comp 2024, 2024-06-03 - 07 [VK:208]

Molecular descriptors based on automorphism data.

PDF file | Abstract | Conference

2023

Varmuza K.*, Dehmer M., Filzmoser P.:

Sopron (Hungary): Conferentia Chemometrica 2023, 2023-09-10 - 13 [VK:207]

Molecular descriptors based on automorphism data.

PDF file | Abstract

Varmuza K.*, Filzmoser P.:

Padova (Italy): XI Colloquium Chemometricum Mediterraneum (CCM), 2023-06-27 - 30 [VKP:205]

and

Sopron (Hungary): Conferentia Chemometrica 2023, 2023-09-10 - 13 [VK:206]

Adjusted Pareto scaling.

PDF file | Abstract

Varmuza K.*, Filzmoser P.:

Vienna (Austria): ANAKON 2023, 2023-04-11 – 14 [VKP:204]

Adjusted Pareto scaling for optimum prediction performance of chemometric multivariate models.

PDF file | Abstract

2022

Varmuza K.:

Vienna (Austria): Austrian Chemistry Days 2022, 2022-09-20 – 22 [VKP:203]

Extraterrestrial material from a comet and from meteorites - analyzed by TOF-SIMS and data evaluated by machine learning approaches.

PDF file | Abstract

2020

Varmuza K.*, Rados E., Herzig C., Limbeck A., Pittenauer E., Allmaier G., Filzmoser P.:

Vienna (Austria): 31st Mass Spec Forum Vienna, 2020-02-25 – 26 [VKP:202]

ICP-MS of meteorite samples: Chemometric evaluation of diversity and discrimination.

PDF file

2019

Isnard R., Bardyn A., Briois C.*, Fray N., Baklouti D., Cottin H., Engrand C., Fischer H., Gardner E., Hornung K., Langevin Y., Lehto H., Le Roy L., Ligier N., Merouane S., Modica P., Orthous-Daunay F.R., Paquette J., Rynö J., Schulz R., Silén J., Siljeström S., Stenzel O., Thirkell L., Varmuza K., Zaprudin B., Kissel J., Hilchenbach M.:

19th EANA Astrobiology Conference (EANA 2019), 3 - 6 Sept. 2019, Orléans, France [VKP:201]

67P/CG Dust particles composition as measured by the COSIMA/Rosetta mass spectrometer.

Varmuza K.*, Filzmoser P., Fray N., Cottin H., Merouane S., Stenzel O., Kissel J., Briois C., Baklouti D., Bardyn A., Siljeström S., Silén J., Hilchenbach M.:

Conferentia Chemometrica 2019-09-08 – 12, Karcag, Hungary, http://cc2019.ttk.mta.hu/ [VKP:200]

Composition of cometary particles versus distance to sun during sample collection - based on multivariate evaluation of mass spectral data (Rosetta/COSIMA).

PDF file

Varmuza K.*, Filzmoser P., Hilchenbach M., Kissel J., Stenzel O., Merouane S., Paquette J., Hornung K., Cottin H., Fray N., Isnard R., Engrand C., Briois C., Thirkell L., Modica M., Langevin Y., Baklouti D., Bardyn A., Siljeström S., Silén J., Rynö J., Lehto H., Schulz R.:

20. Tagung Festkörperanalytik (FKA20, Conference on Solid State Analysis), 1 - 3 July 2019, Vienna, Austria [VKP:199]

Cometary particle surfaces - characterized by chemometric evaluation of secondary ion mass spectra.

PDF file with 2 pages A4.

Varmuza K.*, Filzmoser P., Ortner I., Hilchenbach M., Kissel J., Merouane S., Paquette J., Stenzel O., Engrand C., Cottin H., Fray N., Isnard R., Briois C., Thirkell L., Baklouti D., Bardyn A., Siljeström S., Schulz R., Silén J., Brandstätter F., Ferrière L., Koeberl C.:

16th Scandinavian Symposium on Chemometrics (SSC16), 17 – 20 June 2019, Nesbru / Oslo, Norway [VKP:198]

One-class classification for the recognition of relevant measurements - applied to mass spectra from cometary and meteoritic particles.

PDF file with 8 pages.

Rados E.*, Pittenauer E., Frank J., Varmuza K., Allmaier G.:

ANAKON 2019, Gesellschaft Deutscher Chemiker, 25 - 28 March 2019, Münster, Germany [VKP:197]

Analysis of meteorites and meteorite-like materials (terrestrial forsterite) doped with small organic molecules by LDI-MS using three different analysers and SIMS.

PDF file with 12 pages.

2018

Rados E.*, Pittenauer E., Frank J., Varmuza K., Allmaier G.:

22nd International Mass Spectrometry Conference 2018 (IMSC 2018), 2018-08-26 - 31, Florence, Italy [VKP:195]

A multi-vendor applicable target system for (MA)LDI instruments with distinct performance characteristics for the analysis of small organic molecules related to carbonaceous chondrites.

PDF file A4. Abstract. Picture from Conference.

Varmuza K.*, Filzmoser P., Hoffmann I., Hilchenbach M., Kissel J., Merouane S., Paquette J., Stenzel O., Cottin H., Fray N., Isnard R., Briois C., Modica P., Thirkell L., Engrand C., Baklouti D., Langevin Y., Bardyn A., Hornung K., Siljeström S., Rynö J., Silén J., Schulz R., Brandstätter F., Ferrière L., Koeberl C.:

Vienna (Austria): 29th Mass Spec Forum Vienna, 2018-02-20 – 22 [VKP:194]

Mass spectrometry near comet 67P (Rosetta/COSIMA).

PDF file A4. Abstract.

2017

Varmuza K.*, Filzmoser P., Hoffmann I., Walach J., Cottin H., Fray N., Briois C., Silén J., Stenzel O., Kissel J., Hilchenbach M.:

Gyöngyös-Farkasmály (Hungary): Conferentia Chemometrica 2017-09-03 – 06, http://cc2017.ttk.mta.hu [VKP:193]

Significance of variables for discrimination - applied to the search of organic ions in mass spectra measured on cometary particles.

PDF file (2.4 MB, 11 pages, incl. abstract); PDF file A4.

Varmuza K.*, Baklouti D., Bardyn A., Cottin H., Engrand C., Filzmoser P., Fray N., Hilchenbach M., Hoffmann I., Kissel J., Modica P., Silén J., Siljeström S., Stenzel O.:

Naantali (Finland): 15th Scandinavian Symposium on Chemometrics (SSC15), 2017-06-19 – 22. [VKP:192]

Comet dust composition explored by chemometric methods using mass spectral data from COSIMA/ROSETTA.

PDF file (5.5 MB, 9 pages, incl. abstract); PDF file A4.

Varmuza K.*, Brandstätter F., Cottin H., Engrand C., Ferrière L., Filzmoser P., Fray N., Hilchenbach M., Hoffmann I., Kissel J., Koeberl C., Modica P., Paquette J., Stenzel O.:

Vienna (Austria): EGU 2017, European Geosciences Union General Assembly, http://www.egu2017.eu/, 2017-04-23 - 28. Geophysical Research Abstracts Vol. 19, EGU2017-2545, 2017. [VKP:191]

Elemental surface composition of comet 67P grains (Rosetta) and of carbonaceous chondrite meteorites - characterized by multivariate mass spectral data (COSIMA).

PDF file (0.6 MB, poster A4 and abstract)

Varmuza K.*, Brandstätter F., Cottin H., Engrand C., Ferrière L., Filzmoser P., Fray N., Hilchenbach M., Hoffmann I., Kissel J., Koeberl C., Modica P., Paquette J., Stenzel O.:

Tübingen (Germany): ANAKON 2017, Gesellschaft Deutscher Chemiker, 2017-04-03 - 06 [VKP:190]

Comet and meteorite particle surface characterization by multivariate data analyses using TOF‐SIMS data from COSIMA/Rosetta.

PDF file (1.8 MB)

2016

M. Hilchenbach, J. Kissel, R. Schulz*, Y. Langevin, C. Briois, A. Koch, J. Silén, D. Baklouti, A. Bardyn, H.Cottin, C. Engrand, H. Fischer, N. Fray, A. Glasmachers, E. Grün, G. Haerendel, H. Henkel, H. Höfner, K. Hornung, E.K. Jessberger, H. Lehto, K. Lehto, N. Ligier, P. Martin, S. Merouane, P. Modica, F.R. Orthous Daunay, J. Paquette, F. Raulin, L. Le Roy, J. Rynö, S. Siljeström, W. Steiger, O. Stenzel, T. Stephan, L. Thirkell, R. Thomas, K. Torkar, K. Varmuza, K.P. Wanczek, B. Zaprudin:

Pasadena, CA (USA): DPS 48 / EPSC 11 Meeting, American Astronomical Society, 2016-10-16 – 21 [VKP:189]

ROSETTA/COSIMA at comet 67P/Churyumov-Gerasimenko - 2 years of in-situ dust analysis.

Abstract/info.

O.J. Stenzel*, J. Paquette, M. Hilchenbach, J. Kissel, Y. Langevin, C. Briois, A. Koch, R. Schulz, J. Silén, N. Altobelli, K. Altwegg, L. Colangeli, H. Cottin, D. Baklouti, A. Bardyn, C. Engrand, H. Fischer, N. Fray, A. Glasmachers, E. Grün, G. Haerendel, H. Henkel, H. Höfner, K. Hornung, E.K. Jessberger, H. Lehto, K. Lehto, N. Ligier, Z. Lin, P. Martin, S. Merouane, F.R. Orthous-Daunay, F. Raulin, C. Revillet, L. Le Roy, J. Rynö, S. Siljeström, W. Steiger, T. Stephan, L. Thirkell, R. Thomas, K. Torkar, K. Varmuza, K.P. Wanczek, B. Zaprudin:

Leiden (The Netherlands): 50th ESLAB Symposium (European Space Agency, ESA), From Giotto to Rosetta, 2016-03-14 – 18 [VKP:188]

Alkali metals in cometary particles – what is the chemical context?

Poster/abstract/info.

Korinek G.*, Pittenauer E., Varmuza K., Allmaier G.:

Vienna (Austria): 27th Mass Spec Forum Vienna, 2016-02-23 – 24 [VKP:187]

LDI-RTOFMS of organic matter in the study of meteorites.

Hoffmann I., Brandstätter F., Engrand C., Ferrière L., Filzmoser P., Hilchenbach M., Koeberl C., Varmuza K.*:

Vienna (Austria): 27th Mass Spec Forum Vienna, 2016-02-23 – 24 [VKP:186]

Meteorite classification by TOF-SIMS-chemometrics.

PDF file (1 MB), abstract of poster.

2015

Varmuza K.*, Hoffmann I., Filzmoser P., Brandstätter F., Engrand C., Ferrière L., Hilchenbach M., Koeberl C., Paquette J., Silén J., Stenzel O.:

Vienna (Austria): Conference on Solid State Analytics (18. Tagung Festkörperanalytik - FKA18), 2015-07-06 – 07-08 [VKP:184]

Recognition of relevant spectra in TOF-SIMS measurements on meteorite and comet grain samples by a chemometric approach.

PDF file (2.8 MB) of poster.

Varmuza K.*, Filzmoser P., Hilchenbach M., Hoffmann I., Kissel J., Silén J.:

Chia, Sardinia (Italy): 14th Scandinavian Symposium on Chemometrics (SSC14), 2015-06-14 to 06-17 [VKP:183]

Selected chemometric approaches for mass spectra from comet dust grains (Rosetta).

PDF: see similar poster no. 184 (listed above).

Stenzel O.J.*, Varmuza K., Engrand C., Ferrière L., Brandstätter F., Koeberl C., Filzmoser P., Paquette J., Hilchenbach M.:

The Woodlands, Texas (USA): 46th Lunar and Planetary Science Conference (LPSC), 2015-03-16 to 03-20 [VKP:182]

Using meteorite samples as a test for correlation based analysis of SIMS data from cometary grains.

PDF file (2.2 MB) of poster.

2014

C. Engrand*, D. Baklouti, C. Briois, H. Cottin, H. Fischer, N. Fray, M. Godard, H. Henkel, M. Hilchenbach, K. Hornung, J. Kissel, A. Koch, Y. Langevin, H. Lehto, S. Merouane, F. R. Orthous-Daunay, J. Rynö, R. Schulz, J. Silén, S. Siljeström, T. Stephan, L. Thirkell, K. Varmuza:

San Francisco, CA (USA), 2014 AGU Fall Meeting of the American Geophysical Union, 2014-12-15 to 12-19 [VKP:181]

On the inorganic composition of cometary dust from comet 67P/Churyumov-Gerasimenko, as seen by COSIMA onboard Rosetta.

M. Hilchenbach, J. Kissel, C. Briois, H. von Hoerner, Y. Langevin, R. Schulz*, J. Silén, K. Altwegg, L. Colangeli, H. Cottin, C. Engrand, A. Glasmachers, E. Grün, G. Haerendel, H. Henkel, H. Höfner, K. Hornung, E. K. Jessberger, A. Koch, H. Lehto, K. Lehto, F. Raulin, L. Le Roy, J. Rynö, W. Steiger, T. Stephan, L. Thirkell, R. Thomas, K. Torkar, K. Varmuza, K. P. Wanczek:

Tucson, Arizona (USA): 46th Annual Meeting of the Division for Planetary Sciences of the American Astronomical Society (DPS-2014),

2014-11-09 to 11-14 [VKP:180]

COSIMA - Cometary Dust Analysis in the inner coma of Comet 67P/Churyumov-Gerasimenko.

Stenzel O.*, Varmuza K., Engrand C., Ferrière L., Brandstätter F., Koeberl C., Filzmoser P., Hilchenbach M.:

Helsinki (Finland): ACM 2014 (Asteroids, Comets, Meteors), 2014-06-30 to 07-04 [VKP:179]

Characterisation of meteoritic samples with the Rosetta Cosima TOF-SIMS laboratory reference model - a covariance approach.

PDF file (1.7 MB) of poster.

2013

Varmuza K., Dehmer M., Filzmoser P.:

Sopron (Hungary): Conferentia Chemometrica 2013, 2013-09-08 to 09-11 [VKP:178]

Empirical modeling of mass spectral features by molecular descriptors.

PDF file (1.8 MB) of poster.

Hilchenbach M., Briois C., Cottin H., Engrand C., Hornung K., Kissel J., Krüger H., Lehto H.J., Lehto K., Silen J., Thirkell L., Varmuza K.:

The Woodlands, Texas (USA): 44th Lunar and Planetary Science Conference (LPSC), 2013-03-18 to 03-22 [VKP:177]

Laboratory secondary ion mass spectra of cometary analog matter.

PDF file (1.8 MB) of poster.

2012

Varmuza K., Liebmann B., Filzmoser P.:

Budapest (Hungary): 13th International Conference on Chemometrics in Analytical Chemistry - CAC 2012,

2012-06-25 to 06-29 [VKP:176]

Repeated double cross validation for optimization and evaluation of empirical classifiers.

PDF file (2 MB) of poster.

Liebmann B., Todeschini R., Consonni V., Filzmoser P., Varmuza K.:

Budapest (Hungary): 13th International Conference on Chemometrics in Analytical Chemistry - CAC 2012,

2012-06-25 to 06-29 [VKP:175]

Variable selection by the LASSO method.

PDF file (1 MB) of poster.

2011

Liebmann B., Friedl A., K. Varmuza:

Sümeg (Hungary): Conferentia Chemometrica 2011, 2011-09-18 to 09-21 [VKP:174]

COSMO data and conventional molecular descriptors compared by redundancy analysis.

PDF file (1.9 MB) of poster.

Liebmann B., Rodrigues J.F.C., Friedl A., K. Varmuza:

Sümeg (Hungary): Conferentia Chemometrica 2011, 2011-09-18 to 09-21 [VKP:173]

NIR spectroscopy and chemometrics for ionic liquids: Lignocellulosic biomass dissolution.

PDF file (3.7 MB) of poster.

K. Varmuza, M. Dehmer:

Sümeg (Hungary): Conferentia Chemometrica 2011, 2011-09-18 to 09-21 [VKP:172]

Uniqueness of numerical molecular descriptors for organic compounds.

PDF file (500 kB) of poster.

2010

K. Varmuza, P. Filzmoser, M. Hilchenbach, J. Kissel, H. Krüger, J. Silén:

Antwerp (Belgium): 12th International Conference on Chemometrics in Analytical Chemistry - CAC 2010, 2010-10-18 to 10-21 [VKP:171]

Random projection for dimensionality reduction - applied to TOF-SIMS data.

PDF file (201 kB) of poster.

K. Varmuza, P. Filzmoser, M. Dehmer:

Rabat (Morocco): First African-European Conference on Chemometrics 2010, 2010-09-21 to 09-24 [VKP:170]

Statistical evaluation of molecular descriptors used in quantitative-structure-activity relationships.

PDF file (249 kB) of poster.

E.P. Zayas, K. Varmuza, I. Talavera, M. Lorenzo, M.C. Vasallo:

Havana (Cuba): V Congreso Latinoamericano de Profesionales y Estudiantes de Ciencia y Tecnologia de los Alimentos, 2010-05-24 to 05-26 [VKP:169]. Proceedings CD, ISBN 978-959-7003-28-1.

Clasificación multivariante de rones con empleo de la espectroscopia infrarroja cercana (Spanish).

Multivariate classification of rum employing near infrared spectroscopy.

PDF file (Spanish, 58 kB) of poster; PDF file (English, 8 kB) of abstract.

2009

K. Varmuza, P. Filzmoser, B. Liebmann:

Siófok (Hungary): Conferentia Chemometrica 2009, 2009-09-27 to 09-30 [VKP:168]

Random projection and projection pursuit based PCA applied to chemical data.

PDF file (118 kB) of poster.

B. Liebmann, A. Friedl, K. Varmuza:

Vienna (Austria): 13th Austrian Chemistry Days, 2009-08-24 to 08-27 [VKP:167]

Near-infrared spectroscopy and chemometrics in bioethanol production.

PDF 13 pages (0.7 MB) of poster.

B. Liebmann, A. Friedl, K. Varmuza:

Loen/Stryn (Norway): 11th Scandinavian Symposium on Chemometrics, 2009-06-08 to 06-11 [VKP:165]

Quantitative analysis by near-infrared spectroscopy of compounds relevant in bioethanol production.

PDF 14 pages (0.7 MB) or PDF 1 page (1.4 MB) of poster.

2008

Varmuza K., Dehmer M., Borgert S.:

Goslar (Germany): 4th German Conference on Chemoinformatics - 22nd CIC-Workshop, 2008-11-09 to 2008-11-11 [VKP:164].

Molecular descriptors based on entropy and the full topological neighborhood of all atoms.

PDF file of poster (154 kB).

Varmuza K., Filzmoser P.:

Goslar (Germany): 4th German Conference on Chemoinformatics - 22nd CIC-Workshop, 2008-11-09 to 2008-11-11 [VKP:163].

Comparison of some linear regression methods - available in R - for a QSPR problem.

PDF file of poster (296 kB).

Schäning A., Schreiner M., Varmuza K.:

Balatonalmádi (Hungary): 4th International Symposium on Computer Applications and Chemometrics in Analytical Chemistry - SCAC 2008, 2008-09-01 to 2008-09-04 [VKP:162].

Classification of synthetic organic pigments from FT infrared spectral data.

PDF file of poster (736 kB).

Liebmann B., Friedl A., Varmuza K.:

Balatonalmádi (Hungary): 4th International Symposium on Computer Applications and Chemometrics in Analytical Chemistry - SCAC 2008, 2008-09-01 to 2008-09-04 [VKP:161].

Application of near-infrared spectroscopy and chemometrics in bioethanol production.

PDF file of poster (370 kB).

Varmuza K., Filzmoser P.:

Balatonalmádi (Hungary): 4th International Symposium on Computer Applications and Chemometrics in Analytical Chemistry - SCAC 2008, 2008-09-01 to 2008-09-04 [VKP:160].

Repeated double cross validation for estimation of prediction errors.

PDF file of poster (145 kB).

Krüger H., Briois C., Engrand C., Fischer H., Hilchenbach M., Kissel J., Martin P., Rynö J., Stephan T., Thirkell L., Thomas R., Varmuza K.:

Montreal (Canada): 37th COSPAR Scientific Assembly, 2008-07-13 to 2008-07-20 [VKP:159].

An automatic pipeline processing software for secondary ion time-of-flight mass spectra of Rosetta/COSIMA.

PDF file of poster (493 kB).

Felkel J., Dörr N., Leimeter T., Novotny-Farkas F., Varmuza K.:

Montpellier (France): 11th International Conference on Chemometrics in Analytical Chemistry - CAC 2008, 2008-06-30 to 2008-07-04 (2008) [VKP:157].

Characterization of gas engine oils by IR and chemometrics.

PDF file of poster (118 kB).

Varmuza K., Dehmer M., Borgert S.:

Verbania-Intra (Italy): MATH/CHEM/COMP 2008, 2008-06- to 2008-06-13 (2008) [VKP:156].

New topological information indices based on the full neighborhood of all atoms.

PDF file of poster (72 kB).

2007

Liebmann B., Friedl A., Varmuza K.:

Budapest (Hungary): Conferentia Chemometrica 2007, 2007-09-02 to 09-07 (2007) [VKP:152].

Prediction of the heating value of biomass fuel from IR and NIR data.

PDF file of poster (90 kB).

Varmuza K., Liebmann B., Friedl A.:

Plovdiv (Bulgaria): 6th Chemistry Conference, 2007-06-20 to 06-22 (2007) [VKP:150].

Estimation of the heating value of biomass fuel from the elemental composition and infrared data.

PDF file of poster (144 kB).

Liebminger A., Seyfang L., Filzmoser P., Varmuza K.:

Lappeenranta (Finland): 10th Scandinavian Symposium on Chemometrics, 2007-06-11 to 06-15 (2007) [VKP:149].

A new variable selection method based on all subsets regression.

PDF file of poster (107 kB).

Krüger H., Engrand C., Fischer H., Hilchenbach M., Hornung K., Kissel J., Stephan T., Thirkell L., Thomas R., Trieloff M., Varmuza K.:

Vienna (Austria): European Geosciences Union, General Assembly 2007, 2007-04-15 to 04-20 (2007) [VKP:148].

Laboratory calibration of Rosetta/COSIMA: Preparation for comet 67P/Churyumov-Gerasimenkov.

PDF file of poster (227 kB).