| # | Title | Journal | Year | Citations |
|---|
| 1 | Proposed minimum reporting standards for chemical analysis | Metabolomics | 2007 | 3,589 |
| 2 | Assessment of PLSDA cross validation | Metabolomics | 2008 | 1,178 |
| 3 | Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles | Metabolomics | 2010 | 783 |
| 4 | Translational biomarker discovery in clinical metabolomics: an introductory tutorial | Metabolomics | 2013 | 765 |
| 5 | Statistical strategies for avoiding false discoveries in metabolomics and related experiments | Metabolomics | 2007 | 658 |
| 6 | Environmental metabolomics: a critical review and future perspectives | Metabolomics | 2009 | 656 |
| 7 | Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies | Metabolomics | 2012 | 622 |
| 8 | Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies | Metabolomics | 2018 | 517 |
| 9 | Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research | Metabolomics | 2009 | 462 |
| 10 | Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics | Metabolomics | 2013 | 452 |
| 11 | Metabolomics enables precision medicine: “A White Paper, Community Perspective” | Metabolomics | 2016 | 434 |
| 12 | Reflections on univariate and multivariate analysis of metabolomics data | Metabolomics | 2014 | 406 |
| 13 | The metabolomics standards initiative (MSI) | Metabolomics | 2007 | 396 |
| 14 | Multivariate paired data analysis: multilevel PLSDA versus OPLSDA | Metabolomics | 2010 | 362 |
| 15 | Proposed minimum reporting standards for data analysis in metabolomics | Metabolomics | 2007 | 361 |
| 16 | Evaluation of metabolite extraction strategies from tissue samples using NMR metabolomics | Metabolomics | 2007 | 345 |
| 17 | Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification | Metabolomics | 2015 | 319 |
| 18 | Review of recent developments in GC–MS approaches to metabolomics-based research | Metabolomics | 2018 | 314 |
| 19 | Decision tree supported substructure prediction of metabolites from GC-MS profiles | Metabolomics | 2010 | 296 |
| 20 | Quantitative metabolomics based on gas chromatography mass spectrometry: status and perspectives | Metabolomics | 2011 | 292 |
| 21 | Metabolomics: building on a century of biochemistry to guide human health | Metabolomics | 2005 | 281 |
| 22 | The origin of correlations in metabolomics data | Metabolomics | 2005 | 248 |
| 23 | Procedure for tissue sample preparation and metabolite extraction for high-throughput targeted metabolomics | Metabolomics | 2012 | 245 |
| 24 | Recon 2.2: from reconstruction to model of human metabolism | Metabolomics | 2016 | 243 |
| 25 | Non-targeted UHPLC-MS metabolomic data processing methods: a comparative investigation of normalisation, missing value imputation, transformation and scaling | Metabolomics | 2016 | 232 |
| 26 | Gender-specific pathway differences in the human serum metabolome | Metabolomics | 2015 | 218 |
| 27 | A targeted metabolomic protocol for short-chain fatty acids and branched-chain amino acids | Metabolomics | 2013 | 212 |
| 28 | Leakage-free rapid quenching technique for yeast metabolomics | Metabolomics | 2008 | 210 |
| 29 | Metabonomics of human fecal extracts characterize ulcerative colitis, Crohn’s disease and healthy individuals | Metabolomics | 2015 | 208 |
| 30 | Metabolite identification: are you sure? And how do your peers gauge your confidence? | Metabolomics | 2014 | 205 |
| 31 | NMR-based metabolomics in human disease diagnosis: applications, limitations, and recommendations | Metabolomics | 2013 | 203 |
| 32 | Molecular phenotyping of a UK population: defining the human serum metabolome | Metabolomics | 2015 | 202 |
| 33 | State-of-the art data normalization methods improve NMR-based metabolomic analysis | Metabolomics | 2012 | 196 |
| 34 | Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review | Metabolomics | 2015 | 196 |
| 35 | The human saliva metabolome | Metabolomics | 2015 | 195 |
| 36 | MSClust: a tool for unsupervised mass spectra extraction of chromatography-mass spectrometry ion-wise aligned data | Metabolomics | 2012 | 193 |
| 37 | A direct cell quenching method for cell-culture based metabolomics | Metabolomics | 2009 | 188 |
| 38 | Metabonomic fingerprints of fasting plasma and spot urine reveal human pre-diabetic metabolic traits | Metabolomics | 2010 | 181 |
| 39 | Exhaled breath analysis: a review of ‘breath-taking’ methods for off-line analysis | Metabolomics | 2017 | 178 |
| 40 | Metabolic engineering of flavonoids in tomato (Solanum lycopersicum): the potential for metabolomics | Metabolomics | 2007 | 176 |
| 41 | Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows | Metabolomics | 2010 | 174 |
| 42 | Navigating freely-available software tools for metabolomics analysis | Metabolomics | 2017 | 173 |
| 43 | Urine stability for metabolomic studies: effects of preparation and storage | Metabolomics | 2007 | 171 |
| 44 | Missing values in mass spectrometry based metabolomics: an undervalued step in the data processing pipeline | Metabolomics | 2012 | 169 |
| 45 | Computational and statistical analysis of metabolomics data | Metabolomics | 2015 | 169 |
| 46 | COVAIN: a toolbox for uni- and multivariate statistics, time-series and correlation network analysis and inverse estimation of the differential Jacobian from metabolomics covariance data | Metabolomics | 2012 | 168 |
| 47 | Improved batch correction in untargeted MS-based metabolomics | Metabolomics | 2016 | 167 |
| 48 | MetAlign 3.0: performance enhancement by efficient use of advances in computer hardware | Metabolomics | 2012 | 160 |
| 49 | Comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry (GC × GC-TOF) for high resolution metabolomics: biomarker discovery on spleen tissue extracts of obese NZO compared to lean C57BL/6 mice | Metabolomics | 2005 | 154 |
| 50 | High-performance metabolic profiling with dual chromatography-Fourier-transform mass spectrometry (DC-FTMS) for study of the exposome | Metabolomics | 2013 | 154 |
