Volume 20; Issue 8-10

Main
Journal of Chemometrics
Volume 20; Issue 8-10

Journal of Chemometrics

Volume 20; Issue 8-10

1

An automated method for peak detection and matching in large gas chromatography-mass spectrometry data sets

Sarah J. Dixon, Richard G. Brereton, Helena A. Soini, Milos V. Novotny, Dustin J. Penn

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 398 KB

english, 2006

2

OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification

Max Bylesjö, Mattias Rantalainen, Olivier Cloarec, Jeremy K. Nicholson, Elaine Holmes, Johan Trygg

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 310 KB

english, 2006

3

Separating Y-predictive and Y-orthogonal variation in multi-block spectral data

Lennart Eriksson, Marianne Toft, Erik Johansson, Svante Wold, Johan Trygg

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 709 KB

english, 2006

4

The OPLS methodology for analysis of multi-block batch process data

Jon Gabrielsson, Hans Jonsson, Christian Airiau, Bernd Schmidt, Richard Escott, Johan Trygg

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 311 KB

english, 2006

5

Replacing affinity with binding kinetics in QSAR studies resolves otherwise confounded effects

Karl Andersson, Markku D. Hämäläinen

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 179 KB

english, 2006

6

Modelling of multi-block data

Agnar Höskuldsson, Ketil Svinning

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 245 KB

english, 2006

7

Editorial

Torbjörn Lundstedt, Johan Trygg, Lennart Eriksson, Johan Gottfries

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 146 KB

english, 2006

8

Multivariate analysis in reaction mechanism studies

Frederick Leeson, Torbjörn Lundstedt, Tore Lejon

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 218 KB

english, 2006

9

QSBMR—Quantitative structure biomagnification relationships: physicochemical and structural descriptors important for the biomagnification of organochlorines and brominated flame retardants

Katrin Lundstedt-Enkel, Per M. Lek, Torbjörn Lundstedt, Jan Örberg

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 283 KB

english, 2006

10

Pre-processing in biochemometrics: correction for path-length and temperature effects of water in FTIR bio-spectroscopy by EMSC

Harald Martens, Susanne W. Bruun, Isabelle Adt, Ganesh D. Sockalingum, Achim Kohler

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 665 KB

english, 2006

11

Principal properties (PPs) for lanthanide triflates as Lewis-acid catalysts

C. G. Fortuna, G. Musumarra, M. Nardi, A. Procopio, G. Sindona, S. Scirè

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 143 KB

english, 2006

12

A modification of canonical variates analysis to handle highly collinear multivariate data

Lars Nørgaard, Rasmus Bro, Frank Westad, Søren Balling Engelsen

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 737 KB

english, 2006

13

Investigations of bagged kernel partial least squares (KPLS) and boosting KPLS with applications to near-infrared (NIR) spectra

Hideyuki Shinzawa, Jian-Hui Jiang, Pitiporn Ritthiruangdej, Yukihiro Ozaki

Journal:

Journal of Chemometrics

Year:

2006

Language:

english

File:

PDF, 308 KB

english, 2006