publications 2005-2003
Go to: 2004 - 2003
Publications 2005
05/01
R. Huo, R. van de Molengraaf, J.A. Pikkemaat, R. Wehrens, and L.M.C. Buydens
Diagnostic analysis of experimental artefacts in DOSY NMR data by covariance matrix of the residuals
J. Magn. Reson., 172, 346-358, 2005
05/02
J.C. Noordam
Chemometrics in multispectral imaging for quality inspection of postharvest products
PhD Thesis. Nijmegen, February 2005
05/03
E.L. Willighagen, R. Wehrens, P. Verwer, R. de Gelder and L.M.C. Buydens
Method for the computational comparison of crystal structures
Acta Cryst. B., 61 (1), 29-36, 2005
05/04
A.W. Simonetti, W.J. Melssen, F. Szabo de Edelenyi, J.J.A. van Asten, A. Heerschap and L.M.C. Buydens
Combination of feature-reduced MR Spectroscopic and MR imaging data for improved brain tumor classification
NMR Biomed., 18 (1), 34-43, 2005
05/05
L. Kooistra, M.A.J. Huijbregts, A.M.J. Ragas,R. Wehrens and R.S.E.W. Leuven
Spatial variability and uncertainty in ecological risk assessment: a case study on the potential risk of cadmium for the little owl in a Dutch river flood plain
Environ. Sci. Technol., 39 (7), 2177-2187, 2005
05/06
T.N. Tran, R. Wehrens, and L.M.C. Buydens
Clustering multispectral images: a tutorial
Chemom. Intell. Lab. Syst., 77, 3-17, 2005
05/07
A. Devos, A.W. Simonetti, M. van der Graaf, L. Lukas, J.A.K. Suykens,L. Vanhamme, L.M.C. Buydens, A. Heerschap, S. van Huffel
The use of multivariate MR imaging intensities versus metabolic data from MR spectroscopic imaging for brain tumour classification
J. Magn. Reson. 173 (2), 218-228, 2005
05/08
F. Szabo de Edelenyi, A.W. Simonetti, G. Postma, R. Huo & L.M.C. Buydens
Application of independent component analysis to 1H MR spectroscopic imaging exams of brain tumours
Anal. Chim. Acta, 544, 36-46, 2005
05/09
B. Üstün, W.J. Melssen, M. Oudenhuijzen, L.M.C. Buydens
Determination of optimal Support Vector Regression parameters by Genetic Algorithms and Simplex optimization
Anal. Chim. Acta, 544, 292-305, 2005
05/10
U. Thissen, H. Swierenga, A.P. de Weijer, R. Wehrens, W.J. Melssen & L.M.C.Buydens
Multivariate Statistical Process Control Using Mixture Modelling
J. Chemom.19 (1), 23-31, 2005
05/11
C. Fraley, A.E. Raftery and R. Wehrens
Incremental Model-Based Clustering for Large Datasets with Small Clusters
J. Comput. Graph. Statist., 14, 1-18, 2005.
Also appeared as Techn. Report no. 439, Dept. of Statistics, University of Washington, December 2003.
05/12
T.N. Tran, R. Wehrens, D.H. Hoekman and L.M.C. Buydens
Initialization of Markov Random Field clustering of large polarimetric SAR images
IEEE Trans. Geosc. Remote Sens., 43, 1912-1919, 2005
05/13
J.C. Noordam, W.H.A.M. van den Broek, P. Geladi and L.M.C. Buydens
A new procedure for the modelling and representation of classes in multivariate images
Chemom. Intell.Lab. Syst., 75 (2), 115-126, 2005
05/14
J. C Noordam, W.H.A.M. van den Broek, L.M.C. Buydens
Detection and classification of latent defects and diseases on raw French fries with multispectral imaging (p 2249-2259)
Journal of the Science of Food and Agriculture, 85 (13), 2249-2259, 2005
05/15
R. Wehrens, W.J. Melssen, L.M.C. Buydens and R. de Gelder
Representing Structural Databases in a Self-Organising Map
Acta Cryst. B., 61 (5), 548-557, 2005
05/16
T.N. Tran
Including spatial information in clustering of multichannel images
PhD Thesis. Nijmegen, November 2005
05/17
S. Dodds, G. Postma, L. Buydens, T. Scheenen, J. Barentsz, T. Roelofs, A. Heerschap
Unsupervised Pattern Recognition of 3D 1H-MRS Prostate Data: A Visual Aid in Tumour Localisation
proceedings ISMRM 13th Scientific meeting 2005, p2114, 2005
Publications 2004
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04/01
L. Kooistra, E.A.L. Salas, J.P.G.W. Clevers, R.S.E.W. Leuven, R. Wehrens, P.H. Nienhuis and L.M.C. Buydens
Exploring field vegetation reflectance as an indicator of soil contamination in river floodplains
Environm.Pollut., 127(2), 281-290, 2004
04/02
A.W. Simonetti
Investigation of brain tumor classification and its reliability using chemometrics on MR spectroscopy and MR imaging data
PhD Thesis. Nijmegen, April 2004
04/03
L.Kooistra
Incorporating spatial variability in ecological risk assessment of contaminated river floodplains
PhD Thesis. Nijmegen, April 2004
04/04
Peter Murray-Rust, Henry S. Rzepa, Mark J. Williamson, and Egon L. Willighagen
Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators
J.Chem.Inf.Comp.Sci., 44(2), 462-469, 2004
04/05
J. Hageman
Optimal Optimisation in Chemometrics
PhD Thesis. Nijmegen, June 2004
04/06
U. Thissen
Approaches to Handle Non-linearities and Nonnormalities in Process Chemometrics
PhD Thesis. Nijmegen, June 2004
04/07
R. Huo, R. Wehrens & L.M.C. Buydens
Improved Dosy NMR data processing by data enhancement and combination of multivariate curve resolution with non-linear least square fitting.
J. Magn. Reson. 169 (2004), 257-269
04/08
D.S. de Jong, B.L.T. Vaes, K.J. Dechering, A. Feijen,J.M.A. Hendriks, R. Wehrens, C.L. Mummery, E.J.J. van Zoelen,W. Olijve and W.T. Steegenga
Identification of novel regulators associated with early-phase osteoblast differentiation
J. Bone Miner. Res., 19(6), 947-958, 2004
04/09
U. Thissen, M. Pepers, B. Üstün, W.J. Melssen and L.M.C. Buydens
Comparing support vector machines to PLS for spectral regression applications
Chemom. Intell.Lab. Syst. 73 (2), 169-179
04/10
U.M.J. Thissen, B. Üstün, W.J. Melssen, L.M.C. Buydens
Multivariate Calibration with Least Squares Support Vector Machines
Anal. Chem. 76 (11), 3099-3105
04/11
P.J. de Groot
Chemometrical Contributions Extending the Application of Near-Infrared and Raman Spectroscopy
PhD Thesis. Nijmegen, October 2004
04/12
R. Wehrens, L.M.C. Buydens, C. Fraley and A.E. Raftery
Model-based clustering for image segmentations and large datasets via sampling
J. Classif. 21, 231-253, 2004.
Also appeared as Techn. Report no. 424, Dept. of Statistics, University of Washington, Februari 2003.
Supplementary material
04/13
Y. Zhang, P. Murray-Rust, M. Dove, R.C. Glen, H.S. Rzepa, J.A. Townsend, S. Tyrell, J. Wakelin, and E.L. Willighagen
JUMBO - An XML infrastructure for eScience
Proceedings of UK e-Science All Hands Meeting 2004
Publications 2003
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03/01
R. Wehrens, L.M.C. Buydens, C. Fraley and A.E. Raftery
Model-based clustering for image segmentations and large datasets via sampling
Techn. Report no. 424, Dept. of Statistics, University of Washington, Februari 2003.
03/02
T.N. Tran, R. Wehrens and L.M.C. Buydens
KNN density-based clustering for high-dimensional multispectral images.
Proc. 2nd GRSS/ISPRS Joint Workshop on Remote Sensing and Data Fusion over Urban Areas, URBAN 2003, May 2003, Berlin, Germany.
03/03
H. Witjes, M. Rijpkema, M. van der Graaf, W. Melssen, A. Heerschap, L. Buydens
Multispectral Magnetic Resonance Image Analysis Using Principal Component and Linear Discriminant Analysis.
J. Magn. Reson. Imaging 17, 261-269
03/04
Ziad Ramadan, Bas Eickhout, Xin-Hua Song, L. M. C. Buydens and Philip K. Hopke
Comparison of Positive Matrix Factorization and Multilinear Engine for the source apportionment of particulate pollutants
Chemom. Intell.Lab. Syst. 66 (1), 15-28
03/05
L. Kooistra, J. Wanders, G.F. Epema, R.S.E.W. Leuven, R. Wehrens and L.M.C. Buydens
The potential of field spectroscopy for the assessment of sediment properties in river floodplains
Anal. Chim. Acta, 484, 189-200, 2003
03/06
J.A. Hageman, R. Wehrens, R. de Gelder and L.M.C. Buydens
Powder pattern indexing using the weighted cross correlation and genetic algorithms
J. Comp. Chem., 24 (9), 1043-1051, 2003
03/07
J.C. Noordam, W.H.A.M. van den Broek and L.M.C. Buydens
Unsupervised segmentation of predefined shapes in multivariate images
J. Chemom.17(4), 216-224, 2003
03/08
P.J. de Groot, H. Swierenga, G.J. Postma, W.J. Melssen and L.M.C. Buydens
Effect on the Partial Least-Squares Prediction of Yarn Properties Combining Raman and Infrared Measurements and Applying Wavelength Selection
Appl. Spectrosc., 57 (6), 642-648
03/09
J.A. Hageman, R. Wehrens, H.A. van Sprang & L.M.C. Buydens
Hybrid Genetic Algorithm - Tabu Search Approach for Optimising Multilayer Optical Coatings
Anal. Chim. Acta, 490, 211-222, 2003
03/10
R. Huo, R. Wehrens, J. van Duynhoven & L.M.C. Buydens
Assessment of Techniques for DOSY NMR Data Processing
Anal. Chim. Acta, 490, 231-251, 2003
03/11
T.N. Tran, R. Wehrens & L.M.C. Buydens
SpaRef: A Clustering Algorithm for Satellite Imagery
Anal. Chim. Acta, 490, 303-312, 2003
03/12
P. Murray-Rust, R.C. Glen, H.S. Rzepa, J.J.P. Stewart, J.A. Townsend, E.L. Willighagen, Y. Zhang
A Semantic GRID for Molecular Science
Proceedings of UK e-Science All Hands Meeting 2003, 2003.
03/13
A. Simonetti, W.J. Melssen, M. van der Graaf, G.J. Postma, A. Heerschap & L.M.C.Buydens
A Chemometric Approach for Brain Tumor Classification using Magnetic Resonance Imaging and Spectroscopy
Anal.Chem., 75(20), 5352-5361, 2003
03/14
J.A. Hageman, M. Streppel, R. Wehrens and L.M.C. Buydens
Wavelength Selection with Tabu Search
J. Chemom.17 (8-9), 427-437, 2003
03/15
L. Kooistra, R.S.E.W. Leuven, P.H. Nienhuis, R. Wehrens,and L.M.C. Buydens.
Incorporating spatial variability of exposure in ecological risk assessment of polluted floodplains using a combined GIS-Monte Carlo appraoch.
In Proceedings NCR-symposium 2002. R.S.E.W. Leuven, A.G. van Os and P. Nienhuis, editors,
NCR technical report 20-2003, 148-150, October 2003
03/16
U. Thissen, R. van Brakel, A.P. de Weijer, W.J. Melssen, L.M.C. Buydens
Using support vector machines for time series prediction
Chemom. Intell.Lab. Syst. 69 (1-2), 35-49, 2003
03/17
L. Kooistra, R.S.E.W. Leuven, R. Wehrens, P.H. Nienhuis and L.M.C. Buydens
A comparison of methods to relate grass reflectance to soil metal contamination
Int. J. Remote Sens., 24(24), 4995-5010, 2003
03/18
C. Fraley, A.E. Raftery and R. Wehrens
Incremental Model-Based Clustering for Large Datasets with Small Clusters
Techn. Report no. 439, Dept. of Statistics, University of Washington, December 2003
03/19
A. Rios, D. Barcelo, L. Buydens, S. Cardenas, K. Heydorn, B. Karlberg, K. Klemm, B. Lendl, B. Milman, B. Neidhart, R. W. Stephany, A. Townshend, A. Zschunke and M. Valcarcel
Quality assurance of qualitative analysis in the framework of the European project 'MEQUALAN'.
Accreditation and Quality Assurance2003, 8. 68-77