Principal component analysis R Bro, AK Smilde Analytical methods 6 (9), 2812-2831, 2014 | 3158 | 2014 |
Centering, scaling, and transformations: improving the biological information content of metabolomics data RA Van den Berg, HCJ Hoefsloot, JA Westerhuis, AK Smilde, ... BMC genomics 7, 1-15, 2006 | 2704 | 2006 |
Multi-way analysis: applications in the chemical sciences AK Smilde, R Bro, P Geladi John Wiley & Sons, 2005 | 1692 | 2005 |
Assessment of PLSDA cross validation JA Westerhuis, HCJ Hoefsloot, S Smit, DJ Vis, AK Smilde, EJJ van Velzen, ... Metabolomics 4, 81-89, 2008 | 1559 | 2008 |
Selectivity, local rank, three‐way data analysis and ambiguity in multivariate curve resolution R Tauler, A Smilde, B Kowalski Journal of Chemometrics 9 (1), 31-58, 1995 | 1112 | 1995 |
Large-scale human metabolomics studies: a strategy for data (pre-) processing and validation S Bijlsma, I Bobeldijk, ER Verheij, R Ramaker, S Kochhar, IA Macdonald, ... Analytical chemistry 78 (2), 567-574, 2006 | 950 | 2006 |
Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies E Szymańska, E Saccenti, AK Smilde, JA Westerhuis Metabolomics 8, 3-16, 2012 | 854 | 2012 |
ANOVA-simultaneous component analysis (ASCA): a new tool for analyzing designed metabolomics data AK Smilde, JJ Jansen, HCJ Hoefsloot, RJAN Lamers, J Van Der Greef, ... Bioinformatics 21 (13), 3043-3048, 2005 | 683 | 2005 |
Generalized contribution plots in multivariate statistical process monitoring JA Westerhuis, SP Gurden, AK Smilde Chemometrics and intelligent laboratory systems 51 (1), 95-114, 2000 | 628 | 2000 |
Reflections on univariate and multivariate analysis of metabolomics data E Saccenti, HCJ Hoefsloot, AK Smilde, JA Westerhuis, MMWB Hendriks Metabolomics 10, 361-374, 2014 | 609 | 2014 |
Metabolic fate of polyphenols in the human superorganism J van Duynhoven, EE Vaughan, DM Jacobs, R A. Kemperman, ... Proceedings of the national academy of sciences 108 (supplement_1), 4531-4538, 2011 | 605 | 2011 |
Centering and scaling in component analysis R Bro, AK Smilde Journal of chemometrics 17 (1), 16-33, 2003 | 537 | 2003 |
Proposed minimum reporting standards for data analysis in metabolomics R Goodacre, D Broadhurst, AK Smilde, BS Kristal, JD Baker, R Beger, ... Metabolomics 3, 231-241, 2007 | 527 | 2007 |
Multivariate paired data analysis: multilevel PLSDA versus OPLSDA JA Westerhuis, EJJ van Velzen, HCJ Hoefsloot, AK Smilde Metabolomics 6, 119-128, 2010 | 452 | 2010 |
Direct orthogonal signal correction JA Westerhuis, S De Jong, AK Smilde Chemometrics and Intelligent Laboratory Systems 56 (1), 13-25, 2001 | 393 | 2001 |
Cross-validation of component models: a critical look at current methods R Bro, K Kjeldahl, AK Smilde, HAL Kiers Analytical and bioanalytical chemistry 390, 1241-1251, 2008 | 380 | 2008 |
Fusion of mass spectrometry-based metabolomics data AK Smilde, MJ van der Werf, S Bijlsma, BJC van der Werff-van der Vat, ... Analytical chemistry 77 (20), 6729-6736, 2005 | 363 | 2005 |
Atherosclerosis and liver inflammation induced by increased dietary cholesterol intake: a combined transcriptomics and metabolomics analysis R Kleemann, L Verschuren, MJ Van Erk, Y Nikolsky, NHP Cnubben, ... Genome biology 8, 1-16, 2007 | 287 | 2007 |
Influence of temperature on vibrational spectra and consequences for the predictive ability of multivariate models F Wülfert, WT Kok, AK Smilde Analytical chemistry 70 (9), 1761-1767, 1998 | 271 | 1998 |
ASCA: analysis of multivariate data obtained from an experimental design JJ Jansen, HCJ Hoefsloot, J van der Greef, ME Timmerman, ... Journal of Chemometrics: A Journal of the Chemometrics Society 19 (9), 469-481, 2005 | 243 | 2005 |