Laboratory for ChemoMetrics, Vienna (Austria)

Manuscripts for Download

 

 

Some poster presentations are available as PDF.

A few lectures are available as PDF.

A few papers are freely available as PDF.

 

 

 

For download click at the icon at the left hand side.          2011-07-06

 

 

CONFERENCES

 

Applied chemometrics: From chemical data to relevant information.

Varmuza K.

Manuscript for CHEM 1 Conference, Cairo University, Cairo, March 2000.

[ Pictures ]

17 pages

PDF, 367 kB

 

 

 

 

From MS data via chemometrics to chemical structure information.

Varmuza K.

Manuscript for 13th Sanibel Conference on Mass Spectrometry „Informatics and Mass Spectrometry“, Sanibel Island, Florida, January 2001.

[ Pictures ]

11 pages

PDF, 48 kB

 

 

 

 

Structural and spectral similarity.

Varmuza K., Demuth W., Karlovits M.

Manuscript for CHEM 2 Conference, Cairo University, Cairo, March 2002.

[ Pictures ]

5 pages

PDF, 185 kB

 

 

 

 

POSTER PRESENTATIONS

 

 

 

SOFTWARE

 

Software SubMat. Calculation of binary substructure descriptors.

Scsibrany H., Varmuza K.

Free Demo Version including User Guide for Full Version (June 2004).

 

 

 

 

 

Software MassFeatGen. Calculation of numerical features from low resolution mass spectra for use in multivariate data analyses and spectra similarity searches.

Demuth W., Varmuza K.

Free Demo Version including User Guide for Full Version (April 2005).

 

 

 

 

 

Repeated double cross validation (rdCV). R code and demo data.

Varmuza K., Filzmoser P., Liebmann B.

(Oct. 2010, all free).

 

 

 

 

 

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2011-07-06