Kurt VARMUZA

Laboratory for Chemometrics, Vienna University of Technology, Austria

Selected Papers 1995 - 1999

2009-09-01

Bendl E., Schmid E. R., Varmuza K.:

Comp. Methods Programs Biomed., 46, 23-28 (1995). <Paper 081>

MS-UTIL: A program for interpretation and manipulation of mass spectra and chemical structures.

Varmuza K., Scsibrany H.:

In Software Development in Chemistry 9, (Workshop "Computer in Chemistry", Bitterfeld, 1994); Moll R., Ed.; Gesellschaft Deutscher Chemiker: Frankfurt am Main, p. 81-90 (1995). <Paper 082>

Cluster analysis of chemical structures based on binary molecular descriptors and principal component analysis.

Bernardi F., Rivail J. L., Cernusak I., Gasteiger J., Robb M., Soulie E., Troyanowski C., Varmuza K., Eds.:

E.C.C.C. 1, Computational Chemistry [Proc. First European Conference on Computational Chemistry, Nancy, 1994];

American Institute of Physics (Woodbury): New York, 1995. <Paper 083>

Varmuza K., Werther W.:

J. Chem. Inf. Comput. Sci., 36, 323-333 (1996). <Paper 087>

Mass spectral classifiers for supporting systematic structure elucidation.

Makristathis A., Mader R., Varmuza K., Simonitsch I., Schwarzmeier J., Seidler H., Platzer W., Unterndorfer H., Scheithauer R.:

In Human Mummies (The Man in the Ice, Vol. 3); Spindler K., Wilfing H., Rastbichler-Zissernig E., zur Nedden D., Nothdurfter H., Eds.; Springer: Vienna, p. 279-281 (1996). <Paper 088>

Comparison of the lipid profile of the Tyrolean Iceman with bodies recovered from glaciers.

Varmuza K., Werther W., Stancl F., Kerber A., Laue R.:

In Software Development in Chemistry 10, (Workshop "Computer in Chemistry", Hochfilzen/Tirol, 1995); Gasteiger J., Ed.; Gesellschaft Deutscher Chemiker: Frankfurt am Main, p. 303-314 (1996). <Paper 089>

Computer-assisted structure elucidation of organic compounds, based on mass spectra classification and exhaustive isomer generation.

Varmuza K., Penchev P., Stancl F., Werther W.:

J. Mol. Struct., 408/409, 91-96 (1997). <Paper 090>

Systematic structure elucidation of organic compounds by mass spectra classification.

Varmuza K., Penchev P., Scsibrany H.:

J. Chem. Inf. Comput. Sci., 38, 420-427 (1998). <Paper 092>

Maximum common substructures of organic compounds exhibiting similar infrared spectra.

Varmuza K.:

In The Encyclopedia of Computational Chemistry; Schleyer P. v. R., Allinger N. L., Clark T., Gasteiger J., Kollman P. A., Schaefer III H. F., Schreiner P. R., Eds.; Wiley & Sons: Chichester, Vol. 1, p. 346-366 (1998). <Paper 094>

Chemometrics: Multivariate view on chemical problems.

Varmuza K., Werther W.:

In Advances in Mass Spectrometry; Karjalainen E. J., Hesso A. E., Jalonen J. E., Karjalainen U. P., Eds.; Elsevier: Amsterdam, Vol. 14, p. 611-626 (1998). <Paper 095>

Systematic structure elucidation of organic compounds based on mass spectra classification and isomer generation.

Penchev P. N., Andreev G. N., Varmuza K.:

Anal. Chim. Acta, 388, 145-159 (1999). <Paper 098>

Automatic classification of infrared spectra using a set of improved expert-based features.

Varmuza K., Penchev P. N., Scsibrany H.:

Vib. Spectrosc., 19, 407-412 (1999). <Paper 099>

Large and frequently occurring substructures in organic compounds obtained by library search of infrared spectra.

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

Int. J. Mass Spectrom., 189, 79-92 (1999). <Paper 100>

Organic substances in cometary grains: Comparison of secondary ion mass spectral data and californium-252 plasma desorption data from reference compounds.

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