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L M C Buydens

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TOP 3
N L Afanador; T N Tran; L M C Buydens
Use of the bootstrap and permutation methods for a more robust variable importance in the projection metric for partial least squares regression.
N Dordevic; G J Postma; Ron Wehrens; L M C Buydens; F Camin
Statistical methods for improving verification of claims of origin for Italian wines based on stable isotope ratios.
Agnieszka Smolinska; Lionel Blanchet; L M C Buydens; Sybren S Wijmenga
NMR and pattern recognition methods in metabolomics: from data acquisition to biomarker discovery: a review.

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All Publications

2013: N L Afanador; T N Tran; L M C Buydens
Use of the bootstrap and permutation methods for a more robust variable importance in the projection metric for partial least squares regression.
Analytica chimica acta 2013;768():49-56.
2012: N Dordevic; G J Postma; Ron Wehrens; L M C Buydens; F Camin
Statistical methods for improving verification of claims of origin for Italian wines based on stable isotope ratios.
Analytica chimica acta 2012;757():19-25.
2012: Agnieszka Smolinska; Lionel Blanchet; L M C Buydens; Sybren S Wijmenga
NMR and pattern recognition methods in metabolomics: from data acquisition to biomarker discovery: a review.
Analytica chimica acta 2012;750():82-97.
2012: Jasper Engel; Lionel Blanchet; L M C Buydens; Gerard Downey
Confirmation of brand identity of a Trappist beer by mid-infrared spectroscopy coupled with multivariate data analysis.
Talanta 2012;99():426-32.
2012: Agnieszka Smolinska; T Tuinstra; Kirsten A M Ampt; Amos Attali; Lionel Blanchet; L M C Buydens; Marek Doskocz; Frederic C Girard; Theo Luider; PJ Michiels; Joram M Posma; Sybren S Wijmenga
Simultaneous analysis of plasma and CSF by NMR and hierarchical models fusion.
Analytical and bioanalytical chemistry 2012;403(4):947-59.
2012: Agnieszka Smolinska; Sybren S Wijmenga; Kirsten A M Ampt; Lionel Blanchet; Leon Coulier; Rogier Q Hintzen; Theo Luider; L M C Buydens
Interpretation and visualization of non-linear data fusion in kernel space: study on metabolomic characterization of progression of multiple sclerosis.
PloS one 2012;7(6):e38163.
2011: Simona M Cristescu; Hester A Gietema; Frans J M Harren; C L J J Kruitwagen; J W J Lammers; P Munnik; R J van Klaveren; L Blanchet; L M C Buydens; Pieter Zanen
Screening for emphysema via exhaled volatile organic compounds.
Journal of breath research 2011;5(4):046009.
2011: G J Postma; P W T Krooshof; L M C Buydens
Opening the kernel of kernel partial least squares and support vector machines.
Analytica chimica acta 2011;705(1-2):123-34.
2011: Agnieszka Smolinska; Ernst Suidgeest; T Tuinstra; Hans van Aken; Alain van Gool; Sybren S Wijmenga; Kirsten Ampt; Amos Attali; Lionel Blanchet; Theo Luider; L M C Buydens
NMR and pattern recognition can distinguish neuroinflammation and peripheral inflammation.
Journal of proteome research 2011;10(10):4428-38.
2011: Tom G Bloemberg; L M C Buydens; Jolein Gloerich; Maurice van Dael; Lambert P van den Heuvel; Hans J C T Wessels; Ron Wehrens
Pinpointing biomarkers in proteomic LC/MS data by moving-window discriminant analysis.
Analytical chemistry 2011;83(13):5197-206.
2011: Geert J Postma; Jan Luts; Albert J Idema; Margarida Julià-Sapé; Angel Moreno-Torres; Witek Gajewicz; Johan A K Suykens; Arend Heerschap; Sabine Van Huffel; L M C Buydens
On the relevance of automatically selected single-voxel MRS and multimodal MRI and MRSI features for brain tumour differentiation.
Computers in biology and medicine 2011;41(2):87-97.
2011: Lionel Blanchet; Kirsten A M Ampt; Amos Attali; Theo Luider; Agnieszka Smolinska; Marcel P Stoop; Ernst Suidgeest; T Tuinstra; Hans van Aken; Sybren S Wijmenga; L M C Buydens
Fusion of metabolomics and proteomics data for biomarkers discovery: case study on the experimental autoimmune encephalomyelitis.
BMC bioinformatics 2011;12():254.
2011: L Blanchet; P W T Krooshof; G J Postma; A J Idema; B Goraj; Arend Heerschap; L M C Buydens
Discrimination between metastasis and glioblastoma multiforme based on morphometric analysis of MR images.
AJNR. American journal of neuroradiology 2011;32(1):67-73.
2010: Jorn R De Haan; E Piek; Rene C van Schaik; Jacob de Vlieg; Susanne Bauerschmidt; L M C Buydens; Ron Wehrens
Integrating gene expression and GO classification for PCA by preclustering.
BMC bioinformatics 2010;11():158.
2007: B Ustün; Willem J Melssen; L M C Buydens
Visualisation and interpretation of Support Vector Regression models.
Analytica chimica acta 2007;595(1-2):299-309.
2007: J R de Haan; Ron Wehrens; S Bauerschmidt; E Piek; R C van Schaik; L M C Buydens
Interpretation of ANOVA models for microarray data using PCA.
Bioinformatics (Oxford, England) 2007;23(2):184-90.
2006: Egon L Willighagen; H M G W Denissen; Ron Wehrens; L M C Buydens
On the use of 1H and 13C 1D NMR spectra as QSPR descriptors.
Journal of chemical information and modeling 2006;46(2):487-94.
2006: R Huo; C Geurts; J Brands; Ron Wehrens; L M C Buydens
Real-life applications of the MULVADO software package for processing DOSY NMR data.
Magnetic resonance in chemistry : MRC 2006;44(2):110-7.
2005: Ron Wehrens; Willem J Melssen; L M C Buydens; René de Gelder
Representing structural databases in a self-organizing map.
Acta crystallographica. Section B, Structural science 2005;61(Pt 5):548-57.
2005: Ann Devos; Arjan W Simonetti; Marinette van der Graaf; Lukas Lukas; J A K Suykens; Leentje Vanhamme; L M C Buydens; Arend Heerschap; Sabine Van Huffel
The use of multivariate MR imaging intensities versus metabolic data from MR spectroscopic imaging for brain tumour classification.
Journal of magnetic resonance (San Diego, Calif. : 1997) 2005;173(2):218-28.
2005: Egon L Willighagen; Ron Wehrens; Paul Verwer; René de Gelder; L M C Buydens
Method for the computational comparison of crystal structures.
Acta crystallographica. Section B, Structural science 2005;61(Pt 1):29-36.
2005: Arjan W Simonetti; Willem J Melssen; Fabien Szabo de Edelenyi; Jack J A van Asten; Arend Heerschap; L M C Buydens
Combination of feature-reduced MR spectroscopic and MR imaging data for improved brain tumor classification.
NMR in biomedicine 2005;18(1):34-43.
2005: R Huo; R A van de Molengraaf; jeroen pikkemaat; Ron Wehrens; L M C Buydens
Diagnostic analysis of experimental artefacts in DOSY NMR data by covariance matrix of the residuals.
Journal of magnetic resonance (San Diego, Calif. : 1997) 2005;172(2):346-58.
2004: R Huo; Ron 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.
Journal of magnetic resonance (San Diego, Calif. : 1997) 2004;169(2):257-69.
2004: Uwe Thissen; Bülent Ustün; Willem J Melssen; L M C Buydens
Multivariate calibration with least-squares support vector machines.
Analytical chemistry 2004;76(11):3099-105.
2004: Ann Devos; Lukas Lukas; Arjan W Simonetti; J A K Suykens; Leentje Vanhamme; Marinette van der Graaf; L M C Buydens; Arend Heerschap; Sabine Van Huffel
Does the combination of magnetic resonance imaging and spectroscopic imaging improve the classification of brain tumours?
Conference proceedings : ... Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Conference 2004;1():407-10.
2004: Lammert Kooistra; E A L Salas; J G P W Clevers; Ron Wehrens; R S E W Leuven; P H Nienhuis; L M C Buydens
Exploring field vegetation reflectance as an indicator of soil contamination in river floodplains.
Environmental pollution (Barking, Essex : 1987) 2004;127(2):281-90.
2003: Arjan W Simonetti; Willem J Melssen; Marinette van der Graaf; Geert J Postma; Arend Heerschap; L M C Buydens
A chemometric approach for brain tumor classification using magnetic resonance imaging and spectroscopy.
Analytical chemistry 2003;75(20):5352-61.
2003: J A Hageman; Ron Wehrens; René de Gelder; L M C Buydens
Powder pattern indexing using the weighted crosscorrelation and genetic algorithms.
Journal of computational chemistry 2003;24(9):1043-51.
2003: P J de Groot; H Swierenga; G J Postma; Willem J Melssen; L M C Buydens
Effect on the partial least-squares prediction of yarn properties combining raman and infrared measurements and applying wavelength selection.
Applied spectroscopy 2003;57(6):642-8.
2003: Han Witjes; Mark Rijpkema; Marinette van der Graaf; Willem J Melssen; Arend Heerschap; L M C Buydens
Multispectral magnetic resonance image analysis using principal component and linear discriminant analysis.
Journal of magnetic resonance imaging : JMRI 2003;17(2):261-9.
2002: Arjan W Simonetti; Willem J Melssen; Marinette van der Graaf; Arend Heerschap; L M C Buydens
Automated correction of unwanted phase jumps in reference signals which corrupt MRSI spectra after eddy current correction.
Journal of magnetic resonance (San Diego, Calif. : 1997) 2002;159(2):151-7.
2001: Han Witjes; Arjan W Simonetti; L M C Buydens
Better brain imaging with chemometrics.
Analytical chemistry 2001;73(19):548A-556A.
2001: T H Reijmers; Ron Wehrens; L M C Buydens
The influence of different structure representations on the clustering of an RNA nucleotides data set.
Journal of chemical information and computer sciences 2001;41(5):1388-94.
2001: Lammert Kooistra; R S E W Leuven; P H Nienhuis; Ron Wehrens; L M C Buydens
A procedure for incorporating spatial variability in ecological risk assessment of Dutch river floodplains.
Environmental management 2001;28(3):359-73.
2000: Han Witjes; Willem J Melssen; Rene in 't Zandt; Marinette van der Graaf; Arend Heerschap; L M C Buydens
Automatic correction for phase shifts, frequency shifts, and lineshape distortions across a series of single resonance lines in large spectral data sets.
Journal of magnetic resonance (San Diego, Calif. : 1997) 2000;144(1):35-44.
1999: T H Reijmers; Ron Wehrens; F D Daeyaert; P J Lewi; L M C Buydens
Using genetic algorithms for the construction of phylogenetic trees: application to G-protein coupled receptor sequences.
Bio Systems 1999;49(1):31-43.
1998: M L Beckers; Willem J Melssen; L M C Buydens
Predicting nucleic acid torsion angle values using artificial neural networks.
Journal of computer-aided molecular design 1998;12(1):53-61.
1997: A H van Kampen; L M C Buydens
Reinvestigation of a genetic-based classifier system: the effectiveness of recombination.
Computers & chemistry 1997;21(3):153-60.
1997: M L Beckers; L M C Buydens; jeroen pikkemaat; Cornelis Altona
Application of a genetic algorithm in the conformational analysis of methylene-acetal-linked thymine dimers in DNA: comparison with distance geometry calculations.
Journal of biomolecular NMR 1997;9(1):25-34.
1996: M L Beckers; E P Derks; W J Melssen; L M C Buydens
Parallel processing of chemical information in a local area network--III. Using genetic algorithms for conformational analysis of biomacromolecules.
Computers & chemistry 1996;20(4):449-57.
1996: E P Derks; M L Beckers; W J Melssen; L M C Buydens
Parallel processing of chemical information in a local area network--II. A parallel cross-validation procedure for artificial neural networks.
Computers & chemistry 1996;20(4):439-48.
1996: Albert Van Kampen; L M C Buydens; C B Lucasius; M J Blommers
Optimisation of metric matrix embedding by genetic algorithms.
Journal of biomolecular NMR 1996;7(3):214-24.
1993: R Wehrens; C Lucasius; L M C Buydens; G Kateman
Sequential assignment of 2D-NMR spectra of proteins using genetic algorithms.
Journal of chemical information and computer sciences 1993;33(2):245-51.