Kurt VARMUZA
Laboratory
for Chemometrics, Vienna University of Technology,
Austria
Selected Papers 2006 - 2014
2019-07-11
2014
Varmuza
K., Filzmoser P., Hilchenbach
M., Krüger H., Silén J.:
Chemom. Intell. Lab. Syst., 138, 64-71 (2014) <Paper 175>
DOI: http://dx.doi.org/10.1016/j.chemolab.2014.07.011
KNN classification - evaluated by
repeated double cross validation: Recognition of minerals relevant for comet
dust.
2013
Besser
C., Dörr N., Novotny-Farkas
F., Varmuza K., Allmaier G:
Tribology International, 65,
37-47 (2013) <Paper 174>
Comparison of engine oil degradation observed in
laboratory alteration and in the engine by chemometric
data evaluation.
Varmuza K., Filzmoser P., Dehmer
M.:
Computational and Structural Biotechnology
Journal, 5 [6], e201302007, 1-10 (2013) <Paper 173>
CSBJ: http://journals.sfu.ca/rncsb/index.php/csbj/article/view/csbj.201302007/224
(open access)
DOI: http://dx.doi.org/10.5936/csbj.201302007
Multivariate linear QSPR/QSAR models: Rigorous evaluation of variable selection for
PLS.
Abstract.
Supplementary
material (R-software, data). Direct download of PDF.
2012
Grabner
M., Varmuza K., Dehmer
M.:
Source Code for Biology and Medicine, 7
[12], 1-4 (2012) <Paper 172>
http://www.scfbm.org/content/7/1/12 (open access)
RMol: a toolset for transforming
SD/Molfile structure information into R objects.
Abstract.
Software: http://sourceforge.net/p/rmol-toolset.
Dehmer
M., Varmuza K.:
In Enachescu C., Filip F. G., Iantovics B. (Eds.), Advanced computational technologies, p. 99-107, Romanian Academy Publishing House, Bucharest (2012). <Paper 171>
ISBN 978-973-27-2256-5
On aspects of the degeneracy of topological indices.
Varmuza K., Filzmoser P., Liebmann B., Dehmer M.:
Chemom. Intell. Lab. Syst., 117,
31-44 (2012) <Paper 170>
doi: 10.1016/j.chemolab.2011.05.013
Redundancy analysis
for characterizing the correlation between groups of variables - Applied to
molecular descriptors.
Dehmer M., Sivakumar L., Varmuza K.:
On distance-based entropy measures.
In Gutman I., Furtula B. (Eds): Distance in Molecular Graphs - Theory, Mathematical Chemistry Monographs,
Vol. 12, University of Kragujevac, Kragujevac, Serbia, 123 - 138 (2012) <Paper 169>
ISBN: 978-86-6009-012-8
Varmuza
K. (ed.): (edited book)
Chemometrics in practical applications.
InTech, Rijeka, Croatia (2012)
ISBN 978-953-51-0438-4 <Paper 168>
Open access
publication: Info InTech
Dehmer
M., Varmuza K., Bonchev D.
(eds.): (edited book)
Statistical modelling of molecular descriptors in QSAR/QSPR.
Wiley-VCH, Weinheim, Germany (2012)
ISBN-10: 3-527-32434-8, ISBN-13: 978-3-527-32434-7 <Paper 167>
Dehmer
M., Grabner M., Varmuza K.:
PLoS ONE, 7 [2], e31214, p. 1-9 (2012) <Paper 166>
www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0031214
doi:10.1371/journal.pone.0031214
Information indices with high discriminative
power for graphs.
Dehmer M., Sivakumar L., Varmuza K.:
MATCH Commun. Math. Comput. Chem., 67, 147-172 (2012) <Paper 165>
Uniquely discriminating molecular structures
using novel eigenvalue-based descriptors.
2011
Dehmer M., Emmert-Streib F., Tsoy Y.R., Varmuza K.:
In Putz M.V. (ed.), Quantum Frontiers of Atoms and Molecules,
Nova Science Publishers, Inc., New York, NY, USA, p. 479-497 (2011), ISBN
978-1-61668-158-6 <Paper 164>
Quantifying structural complexity of graphs:
Information measures in mathematical chemistry.
Diudea
M.V., Ilić
A., Varmuza K., Dehmer M.:
Complexity, 16 [6],
32-39 (2011) <Paper
163>
Network analysis
using a novel highly discriminating topological index.
Varmuza K., Engrand
C., Filzmoser P., Hilchenbach
M., Kissel J., Krüger H., Silén J., Trieloff M.:
Anal. Chim.
Acta., 705, 48-55 (2011) <Paper 162>
Random projection
for dimensionality reduction - Applied to time-of-flight secondary ion mass spectrometry data.
2010
Varmuza
K.:
In Encyclopedia of Spectroscopy and Spectrometry; Lindon J.C., Tranter G.E., Koppenaal D., Eds.; 2nd edition, Academic Press - Elsevier, Waltham, MA, USA, p. 392-403 (2010) <Paper 161>
Computer methods in mass
spectrometry for chemical structure assignment.
Revised version of Paper 101, 1st edition, p.
232-243 (2000).
Dehmer M., Emmert-Shtreib F., Tsoy Y.R., Varmuza K.:
Bulletin of the Tomsk Polytechnic University, 316
[5], 5-11 (2010)
<Paper 160>
New information functional for
analyzing chemical graph structures. (in Russian).
НОВЫЙ ФУНКЦИОНАЛ ИНФОРМАТИВНОСТИ ДЛЯ АНАЛИЗА СТРУКТУРЫ ХИМИЧЕСКИХ ГРАФОВ.
Liebmann B., Friedl A., Varmuza K.:
Biochem. Eng. J., 52,
187-193 (2010) <Paper
159>
Applicability of near-infrared spectroscopy for
process monitoring in bioethanol production.
Dehmer M., Barbarini N., Varmuza K., Graber A.:
BMC Structural Biology, 10: 18 (2010) <Paper 157>
http://www.biomedcentral.com/content/pdf/1472-6807-10-18.pdf
Novel topological descriptors
for analyzing biological networks.
Varmuza K., Filzmoser P., Liebmann B.:
J. Chemometrics, 24,
209-217 (2010)
<Paper 156>
Random projection experiments
with chemometric data.
Liebmann B., Filzmoser P., Varmuza K.:
J. Chemometrics, 24, 111-120 (2010) <Paper 155>
Robust and classical PLS regression compared.
Felkel Y., Dörr N., Glatz F., Varmuza K.:
Chemom. Intell. Lab. Syst., 101,
14-22 (2010)
<Paper 154>
Determination of the total acid
number (TAN) of used gas engine oils by IR and chemometrics
applying a combined strategy for variable selections.
2009
Penchev P.N.,
Andreev G.N., Varmuza K.:
Asian Chemistry Letters, 13, 195-200 (2009) <Paper 152>
Computer-assisted
structure elucidation of organic compounds by infrared spectroscopy.
Dehmer M., Barbarini N., Varmuza K., Graber A.:
PLoS ONE 4
[12], e8057, p. 1-13 (2009) <Paper 151>
www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0008057
A large scale
analysis of information-theoretic network complexity measures using chemical
structures.
Kissel J., Altwegg
K., Briois C., Clark B.C., Colangeli
L., Cottin H., Czempiel S.,
Eibl J., Engrand C., Fehringer H.M., Feuerbacher B.,
Fischer H., Fomenkova M., Glasmachers
A., Greenberg J.M., Grün
E., Haerendel G., Henkel H., Hilchenbach
M., von Hoerner H., Höfner
H., Hornung K., Jessberger E.K., Koch A., Krüger H., Langevin Y., Martin P., Parigger
P., Raulin F., Rüdenauer
F., Rynö J., Schmid E.R., Schulz R., Silén J., Steiger W., Stephan T., Thirkell
L., Thomas R., Torkar K., Utterback
N.G., Varmuza K., Wanczek K.P., Werther
W., Zscheeg H.
In
Schulz R., Alexander C., Boehnhardt H., Glassmeier K.H. (editors):
ROSETTA:
ESA's mission to the origin of the solar system, p.
201-242, Springer, New York (2009) <Paper 150>
COSIMA: High resolution time-of-flight secondary ion mass
spectrometer for the analysis of cometary dust particles onboard ROSETTA.
Abstract. Certificate
Rosetta-contribution
Schäning
A., Varmuza K., Schreiner M.:
e-Preservation Science, 6, 75-80 (2009) <Paper 149>
www.morana-rtd.com/e-preservationscience/2009/Schaening-26-06-2008.pdf
Classification
of synthetic organic pigments by multivariate data analysis of FTIR spectra.
Dehmer M., Varmuza K., Borgert S., Emmert-Streib F.:
J.
Chem. Inf. Model., 49, 1655-1663 (2009) <Paper 148>
On
entropy-based molecular descriptors: Statistical analysis of real and synthetic
chemical structures.
Liebmann B.,
Friedl A., Varmuza K.:
Anal.
Chim. Acta, 642, 171-178 (2009) <Paper 147>
Determination of glucose and
ethanol in bioethanol production by near infrared spectroscopy and chemometrics.
Filzmoser P., Liebmann
B., Varmuza K.:
J.
Chemometrics, 23, 160-171 (2009) <Paper 146>
Repeated double cross validation.
Varmuza
K., Filzmoser P.: (book)
Introduction to multivariate
statistical analysis in chemometrics.
CRC
Press, Taylor & Francis Group, Boca Raton, FL, USA (2009)
ISBN: 9781420059472
Review
by Marjan Tušar and Marjana Novič (Ljubljana,
Slovenia)
2008
Grafl
A., Dörr N., Varmuza K., Friske J., Glanznig G.:
Proceedings of Lubrication Management and Technology 2008 (LUBMAT), Fundatión TEKNIKER and The Jost Institute for Tribotechnology, ISBN: 978-84-932064-5-1, 4. - 6. 6. 2008, San Sebastián, Spain (2008) <Paper 141>
Ageing behaviour
of engine oils in passenger cars.
Felkel
J., Dörr N., Varmuza K., Leimeter T., Novotny-Farkas F.:
In Bartz W.J. (ed.), Proceedings of the 16th International
Colloquium Tribology, Technical Academy Esslingen, ISBN 3-924813-73-6,
15.-17.1.2008, Stuttgart/Ostfildern, Germany (2008)
<Paper 140>
Implementation of chemometrics in oil condition monitoring - trend analysis
illustrated by gas engine oils.
2007
Varmuza K., Liebmann
B., Friedl A.:
University
of Plovdiv, Bulgaria, Scientific Papers - Chemistry 35 [5], 5-10 (2007), ISSN
0204-5346. <Paper 139>
Evaluation of the heating value
of biomass fuel from elemental composition and infrared data.
Puchinger L., Sauter F., Leder S., Varmuza
K.:
Annali di Chimica 97,
513-525 (2007) <Paper 138>
Studies
in organic archaeometry VII - Differentiation of wood
and bark pitches by pyrolysis capillary gas chromatography (PY-CGC).
Liebminger A., Papesch W., Haberhauer
G., Varmuza K.:
Chemom. Intell. Lab. Syst., 89, 1-8 (2007)
<Paper 137>
Multivariate models for the concentration of oxygen-18 in precipitation
based on meteorological and geographical features.
Kissel J., Altwegg K., Clark B.C., Colangeli L., Cottin H., Czempiel S., Eibl J., Engrand C., Fehringer H.M., Feuerbacher B., Fomenkova M., Glasmachers A., Greenberg J.M., Grün E., Haerendel G., Henkel H.,
Hilchenbach M., von Hoerner
H., Höfner H., Hornung K., Jessberger E.K., Koch A., Krüger H., Langevin Y., Parigger P., Raulin F., Rüdenauer F., Rynö J., Schmid E.R., Schulz R., Silén J., Steiger W., Stephan T.,
Thirkell L., Thomas R., Torkar
K., Utterback N.G., Varmuza K., Wanczek K.P., Werther W., Zscheeg H.:
Space Science Reviews 128, 823-867 (2007) <Paper 136>
DOI: 10.1007/s11214-006-9083-0
COSIMA – High resolution time-of-flight secondary ion mass
spectrometer for the analysis of cometary dust particles onboard ROSETTA.
2006
Engrand C., Kissel J., Krueger F.R., Martin P., Silén J., Thirkell L., Thomas R., Varmuza K.:
Rapid Commun. Mass Spectrom. 20, 1361-1368 (2006) <Paper 135>
Chemometric evaluation of time-of-flight secondary ion mass
spectrometry data of minerals in the frame of future in situ analyses of
cometary material by COSIMA onboard ROSETTA.
Liebminger A., Haberhauer G., Varmuza
K., Papesch W., Heiss G.:
Geophysical Research Letters, 33, L05808, 5 pages (2006)
<Paper 134>
Modeling the oxygen 18 concentration in precipitation with ambient
climatic and geographic parameters.