A tutorial review: Metabolomics and partial least squares-discriminant analysis–a marriage of convenience or a shotgun wedding PS Gromski, H Muhamadali, DI Ellis, Y Xu, E Correa, ML Turner, ... Analytica chimica acta 879, 10-23, 2015 | 887 | 2015 |
On Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised … Y Xu, R Goodacre Journal of Analysis and Testing 2 (3), 249-262, 2018 | 777 | 2018 |
Individual and gender fingerprints in human body odour DJ Penn, E Oberzaucher, K Grammer, G Fischer, HA Soini, D Wiesler, ... Journal of the Royal Society Interface 4 (13), 331-340, 2007 | 470 | 2007 |
Ultrasensitive colorimetric detection of murine norovirus using NanoZyme aptasensor P Weerathunge, R Ramanathan, VA Torok, K Hodgson, Y Xu, ... Analytical chemistry 91 (5), 3270-3276, 2019 | 213 | 2019 |
Support vector machines: a recent method for classification in chemometrics Y Xu, S Zomer, RG Brereton Critical reviews in analytical chemistry 36 (3-4), 177-188, 2006 | 206 | 2006 |
Influence of Missing Values Substitutes on Multivariate Analysis of Metabolomics Data PS Gromski, Y Xu, HL Kotze, E Correa, DI Ellis, EG Armitage, ML Turner, ... Metabolites 4 (2), 433-452, 2014 | 203 | 2014 |
Fourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species N Nicolaou, Y Xu, R Goodacre Journal of dairy science 93 (12), 5651-5660, 2010 | 197 | 2010 |
A comparison of Raman and FT-IR spectroscopy for the prediction of meat spoilage AA Argyri, RM Jarvis, D Wedge, Y Xu, EZ Panagou, R Goodacre, ... Food Control 29 (2), 461-470, 2013 | 162 | 2013 |
Quantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering with Multivariate Chemometrics† W Cheung, IT Shadi, Y Xu, R Goodacre The Journal of Physical Chemistry C 114 (16), 7285-7290, 2010 | 162 | 2010 |
Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers M Basanta, RM Jarvis, Y Xu, G Blackburn, R Tal-Singer, A Woodcock, ... Analyst 135 (2), 315-320, 2010 | 159 | 2010 |
Portable, Quantitative Detection of Bacillus Bacterial Spores Using Surface-Enhanced Raman Scattering DP Cowcher, Y Xu, R Goodacre Analytical chemistry 85 (6), 3297-3302, 2013 | 155 | 2013 |
1H NMR, GC− EI-TOFMS, and Data Set Correlation for Fruit Metabolomics: Application to Spatial Metabolite Analysis in Melon B Biais, JW Allwood, C Deborde, Y Xu, M Maucourt, B Beauvoit, WB Dunn, ... Analytical chemistry 81 (8), 2884-2894, 2009 | 154 | 2009 |
Discovery of volatile biomarkers of Parkinson’s disease from sebum DK Trivedi, E Sinclair, Y Xu, D Sarkar, C Walton-Doyle, C Liscio, P Banks, ... ACS Central Science 5 (4), 599-606, 2019 | 153 | 2019 |
Absolute quantification of uric acid in human urine using surface enhanced Raman scattering with the standard addition method C Westley, Y Xu, B Thilaganathan, AJ Carnell, NJ Turner, R Goodacre Analytical Chemistry 89 (4), 2472-2477, 2017 | 135 | 2017 |
A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data PS Gromski, Y Xu, E Correa, DI Ellis, ML Turner, R Goodacre Analytica chimica acta 829, 1-8, 2014 | 126 | 2014 |
MALDI-MS and multivariate analysis for the detection and quantification of different milk species N Nicolaou, Y Xu, R Goodacre Analytical and Bioanalytical Chemistry, 1-12, 2011 | 113 | 2011 |
Analysis of Volatile Organic Compounds in Human Saliva by a Static Sorptive Extraction Method and Gas Chromatography-Mass Spectrometry HA Soini, I Klouckova, D Wiesler, E Oberzaucher, K Grammer, SJ Dixon, ... Journal of chemical ecology, 1-8, 2010 | 113 | 2010 |
Novel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds AN Thomas, S Riazanskaia, W Cheung, Y Xu, R Goodacre, CL Thomas, ... Wound Repair and Regeneration 18 (4), 391-400, 2010 | 105 | 2010 |
The influence of scaling metabolomics data on model classification accuracy PS Gromski, Y Xu, KA Hollywood, ML Turner, R Goodacre Metabolomics 11, 684-695, 2015 | 95 | 2015 |
Acclimation of metabolism to light in Arabidopsis thaliana – the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation B Dyson, JW Allwood, R Feil, Y Xu, M Miller, C Bowsher, R Goodacre, ... Plant, Cell and Environment 38, 1404-1417, 2015 | 95 | 2015 |