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1

ANOVA–principal component analysis and ANOVA–simultaneous component analysis: a comparison

Gooitzen Zwanenburg, Huub C.J. Hoefsloot, Johan A. Westerhuis, Jeroen J. Jansen, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2011

Langue:

english

Fichier:

PDF, 602 KB

english, 2011

2

Analysis of multiblock and hierarchical PCA and PLS models

Johan A. Westerhuis, Theodora Kourti, John F. MacGregor

Journal:

Journal of Chemometrics

Année:

1998

Langue:

english

Fichier:

PDF, 168 KB

english, 1998

3

Critical evaluation of approaches for on-line batch process monitoring

Eric N.M van Sprang, Henk-Jan Ramaker, Johan A Westerhuis, Stephen P Gurden, Age K Smilde

Journal:

Chemical Engineering Science

Année:

2002

Langue:

english

Fichier:

PDF, 2.12 MB

english, 2002

4

Weighted sparse principal component analysis

Van Deun, Katrijn, Thorrez, Lieven, Coccia, Margherita, Hasdemir, Dicle, Westerhuis, Johan A., Smilde, Age K., Van Mechelen, Iven

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2019

Langue:

english

Fichier:

PDF, 996 KB

english, 2019

5

Generalized contribution plots in multivariate statistical process monitoring

Johan A. Westerhuis, Stephen P. Gurden, Age K. Smilde

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2000

Langue:

english

Fichier:

PDF, 693 KB

english, 2000

6

Assessment of PLSDA cross validation

Johan A. Westerhuis, Huub C. J. Hoefsloot, Suzanne Smit, Daniel J. Vis, Age K. Smilde, Ewoud J. J. van Velzen, John P. M. van Duijnhoven, Ferdi A. van Dorsten

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 373 KB

english, 2008

7

Centering, scaling, and transformations: improving the biological information content of metabolomics data

Robert A van den Berg, Huub CJ Hoefsloot, Johan A Westerhuis, Age K Smilde, Mariët J van der Werf

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 587 KB

english, 2006

8

Comparing alternative approaches for multivariate statistical analysis of batch process data

Johan A. Westerhuis, Theodora Kourti, John F. MacGregor

Journal:

Journal of Chemometrics

Année:

1999

Langue:

english

Fichier:

PDF, 148 KB

english, 1999

9

Grey component analysis

Johan A. Westerhuis, Eduard P. P. A. Derks, Huub C. J. Hoefsloot, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2007

Langue:

english

Fichier:

PDF, 445 KB

english, 2007

10

Deflation in multiblock PLS

Johan A. Westerhuis, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2001

Langue:

english

Fichier:

PDF, 78 KB

english, 2001

11

Multivariate modelling of the tablet manufacturing process with wet granulation for tablet optimization and in-process control

Johan A Westerhuis, Pierre M.J Coenegracht, Coenraad F Lerk

Journal:

International Journal of Pharmaceutics

Année:

1997

Langue:

english

Fichier:

PDF, 126 KB

english, 1997

12

Gut microbial activity as influenced by fiber digestion: dynamic metabolomics in an in vitro colon simulator

Lamichhane, Santosh, Westerhuis, Johan A., Ouwehand, Arthur C., Saarinen, Markku T., Forssten, Sofia D., Jensen, Henrik Max, Young, Jette F., Bertram, Hanne Christine, Yde, Christian C.

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 2.40 MB

english, 2016

13

Variable selection and validation in multivariate modelling

Shi, Lin, Westerhuis, Johan A, Rosén, Johan, Landberg, Rikard, Brunius, Carl, Kelso, Janet

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 635 KB

english, 2018

14

Training for translation between disciplines: a philosophy for life and data sciences curricula

Anton Feenstra, K, Abeln, Sanne, Westerhuis, Johan A, Brancos dos Santos, Filipe, Molenaar, Douwe, Teusink, Bas, Hoefsloot, Huub C J, Heringa, Jaap

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 559 KB

english, 2018

15

Logistic principal component analysis via non-convex singular value thresholding

Song, Yipeng, Westerhuis, Johan A., Smilde, Age K.

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2020

Fichier:

PDF, 1.01 MB

2020

16

Multivariate modelling of the pharmaceutical two-step process of wet granulation and tableting with multiblock partial least squares

Johan A. Westerhuis, Pierre M. J. Coenegracht

Journal:

Journal of Chemometrics

Année:

1997

Langue:

english

Fichier:

PDF, 133 KB

english, 1997

17

Multiway multiblock component and covariates regression models

Age K. Smilde, Johan A. Westerhuis, Ricard Boqué

Journal:

Journal of Chemometrics

Année:

2000

Langue:

english

Fichier:

PDF, 220 KB

english, 2000

18

Standardized Q-statistic for improved sensitivity in the monitoring of residuals in MSPC

Johan A. Westerhuis, Stephen P. Gurden, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2000

Langue:

english

Fichier:

PDF, 138 KB

english, 2000

19

Modelling of spectroscopic batch process data using grey models to incorporate external information

Stephen P. Gurden, Johan A. Westerhuis, Sabina Bijlsma, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2001

Langue:

english

Fichier:

PDF, 223 KB

english, 2001

20

Fourier-Transform Raman Spectroscopic On-Line Monitoring of the Anionic Dispersion Block Copolymerization of Styrene and 1,3-Butadiene

Friedhelm Bandermann, Ingo Tausendfreund, Slobodan Sasic, Yukihiro Ozaki, Michael Kleimann, Johan A. Westerhuis, Heinz W. Siesler

Journal:

Macromolecular Rapid Communications

Année:

2001

Langue:

english

Fichier:

PDF, 93 KB

english, 2001

21

Design and Assembly of Virtual Homogeneous Catalyst Libraries –Towards in silico Catalyst Optimisation

Jos A. Hageman, Johan A. Westerhuis, Hans-Werner Frühauf, Gadi Rothenberg

Journal:

Advanced Synthesis & Catalysis

Année:

2006

Langue:

english

Fichier:

PDF, 417 KB

english, 2006

22

Monitoring of batch processes using spectroscopy

Stephen P. Gurden, Johan A. Westerhuis, Age K. Smilde

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 751 KB

english, 2002

23

PARAFASCA: ASCA combined with PARAFAC for the analysis of metabolic fingerprinting data

Jeroen J. Jansen, Rasmus Bro, Huub C. J. Hoefsloot, Frans W. J. van den Berg, Johan A. Westerhuis, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2008

Langue:

english

Fichier:

PDF, 225 KB

english, 2008

24

Multi-way analysis of flux distributions across multiple conditions

Maikel P. H. Verouden, Richard A. Notebaart, Johan A. Westerhuis, Mariët J. van der Werf, Bas Teusink, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2009

Langue:

english

Fichier:

PDF, 600 KB

english, 2009

25

Tracy–Widom statistic for the largest eigenvalue of autoscaled real matrices

Edoardo Saccenti, Age K. Smilde, Johan A. Westerhuis, Margriet M. W. B. Hendriks

Journal:

Journal of Chemometrics

Année:

2011

Langue:

english

Fichier:

PDF, 297 KB

english, 2011

26

TRICAP 2000: Three-way Methods in Chemistry and Psychology, Hvedholm Castle, Faaborg, Denmark, 16–21 July 2000

Johan A. Westerhuis, Marieke E. Timmerman

Journal:

Journal of Chemometrics

Année:

2001

Langue:

english

Fichier:

PDF, 26 KB

english, 2001

27

A framework for sequential multiblock component methods

Age K. Smilde, Johan A. Westerhuis, Sijmen de Jong

Journal:

Journal of Chemometrics

Année:

2003

Langue:

english

Fichier:

PDF, 205 KB

english, 2003

28

Preface to ICRM2002 proceedings

Johan Westerhuis

Journal:

Journal of Chemometrics

Année:

2003

Langue:

english

Fichier:

PDF, 21 KB

english, 2003

29

ASCA: analysis of multivariate data obtained from an experimental design

Jeroen J. Jansen, Huub C. J. Hoefsloot, Jan van der Greef, Marieke E. Timmerman, Johan A. Westerhuis, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2005

Langue:

english

Fichier:

PDF, 211 KB

english, 2005

30

Maximum likelihood scaling (MALS)

Huub C. J. Hoefsloot, Maikel P. H. Verouden, Johan A. Westerhuis, Age K. Smilde

Journal:

Journal of Chemometrics

Année:

2006

Langue:

english

Fichier:

PDF, 227 KB

english, 2006

31

Tracking Chemical Kinetics in High-Throughput Systems

Hans F. M. Boelens, David Iron, Johan A. Westerhuis, Gadi Rothenberg

Journal:

Chemistry - A European Journal

Année:

2003

Langue:

english

Fichier:

PDF, 172 KB

english, 2003

32

Dynamic time warping of spectroscopic BATCH data

Henk-Jan Ramaker, Eric N.M. van Sprang, Johan A. Westerhuis, Age K. Smilde

Journal:

Analytica Chimica Acta

Année:

2003

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2003

33

Hyphenation of column liquid chromatography and Raman spectroscopy via a liquid-core waveguide: chemometrical elimination of spectral eluent background

Reyer J Dijkstra, Hans F.M Boelens, Johan A Westerhuis, Freek Ariese, Udo A.Th Brinkman, Cees Gooijer

Journal:

Analytica Chimica Acta

Année:

2004

Langue:

english

Fichier:

PDF, 295 KB

english, 2004

34

Erratum to “Dynamic time warping of spectroscopic BATCH data” [Anal. Chim. Acta 498 (2003) 133–153]

Henk-Jan Ramaker, Eric N.M. van Sprang, Johan A. Westerhuis, Hans F.M. Boelens, Age K. Smilde

Journal:

Analytica Chimica Acta

Année:

2004

Fichier:

PDF, 27 KB

2004

35

The effect of the size of the training set and number of principal components on the false alarm rate in statistical process monitoring

Henk-Jan Ramaker, Eric N.M. van Sprang, Johan A. Westerhuis, Age K. Smilde

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2004

Langue:

english

Fichier:

PDF, 363 KB

english, 2004

36

Estimating kinetic parameters of complex catalytic reactions using a curve resolution based method

Susana C. Cruz, Gadi Rothenberg, Johan A. Westerhuis, Age K. Smilde

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2008

Langue:

english

Fichier:

PDF, 524 KB

english, 2008

37

Exploring the analysis of structured metabolomics data

Maikel P.H. Verouden, Johan A. Westerhuis, Mariët J. van der Werf, Age K. Smilde

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2009

Langue:

english

Fichier:

PDF, 489 KB

english, 2009

38

New background correction method for liquid chromatography with diode array detection, infrared spectroscopic detection and Raman spectroscopic detection

Hans F.M. Boelens, Reyer J. Dijkstra, Paul H.C. Eilers, Fiona Fitzpatrick, Johan A. Westerhuis

Journal:

Journal of Chromatography A

Année:

2004

Langue:

english

Fichier:

PDF, 312 KB

english, 2004

39

Single channel event (SCE) for managing sensor failures in MSPC

Henk-Jan Ramaker, Eric N.M. van Sprang, Johan A. Westerhuis, Age K. Smilde

Journal:

Computers & Chemical Engineering

Année:

2006

Langue:

english

Fichier:

PDF, 493 KB

english, 2006

40

Fault detection properties of global, local and time evolving models for batch process monitoring

Henk-Jan Ramaker, Eric N.M. van Sprang, Johan A. Westerhuis, Age K. Smilde

Journal:

Journal of Process Control

Année:

2005

Langue:

english

Fichier:

PDF, 140 KB

english, 2005

41

Direct orthogonal signal correction

Johan A. Westerhuis, Sijmen de Jong, Age K. Smilde

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2001

Langue:

english

Fichier:

PDF, 150 KB

english, 2001

42

A comparison of multiway regression and scaling methods

Stephen P. Gurden, Johan A. Westerhuis, Rasmus Bro, Age K. Smilde

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2001

Langue:

english

Fichier:

PDF, 246 KB

english, 2001

43

Optimal on-line sampling of parallel reactions: general concept and a specific spectroscopic example

Gadi Rothenberg, Hans F.M. Boelens, David Iron, Johan A. Westerhuis

Journal:

Catalysis Today

Année:

2003

Langue:

english

Fichier:

PDF, 319 KB

english, 2003

44

Discriminant Q2(DQ2) for improved discrimination in PLSDA models

Johan A. Westerhuis, Ewoud J. J. van Velzen, Huub C. J. Hoefsloot, Age K. Smilde

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 286 KB

english, 2008

45

Metabolic network discovery through reverse engineering of metabolome data

Tunahan Çakır, Margriet M. W. B. Hendriks, Johan A. Westerhuis, Age K. Smilde

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 607 KB

english, 2009

46

Multivariate paired data analysis: multilevel PLSDA versus OPLSDA

Johan A. Westerhuis, Ewoud J. J. van Velzen, Huub C. J. Hoefsloot, Age K. Smilde

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 592 KB

english, 2010

47

Metabolomics data exploration guided by prior knowledge

Robert A. van den Berg, Carina M. Rubingh, Johan A. Westerhuis, Mariët J. van der Werf, Age K. Smilde

Journal:

Analytica Chimica Acta

Année:

2009

Langue:

english

Fichier:

PDF, 977 KB

english, 2009

48

Performance assessment and improvement of control charts for statistical batch process monitoring

Henk-Jan Ramaker, Eric N. M. Van Sprang, Johan A. Westerhuis, Stephen P. Gurden, Age K. Smilde, Frank H. Van Der Meulen

Journal:

Statistica Neerlandica

Année:

2006

Langue:

english

Fichier:

PDF, 352 KB

english, 2006

49

The geometry of ASCA

Age K. Smilde, Huub. C.J. Hoefsloot, Johan. A. Westerhuis

Journal:

Journal of Chemometrics

Année:

2008

Langue:

english

Fichier:

PDF, 256 KB

english, 2008

50

Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies

Ewa Szymańska, Edoardo Saccenti, Age K. Smilde, Johan A. Westerhuis

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 714 KB

english, 2012