| A cross-platform toolkit for mass spectrometry and proteomics MC Chambers, B Maclean, R Burke, D Amodei, DL Ruderman, ... Nature biotechnology 30 (10), 918-920, 2012 | 3326 | 2012 |
| MassBank: a public repository for sharing mass spectral data for life sciences H Horai, M Arita, S Kanaya, Y Nihei, T Ikeda, K Suwa, Y Ojima, K Tanaka, ... Journal of mass spectrometry 45 (7), 703-714, 2010 | 2308 | 2010 |
| Highly sensitive feature detection for high resolution LC/MS R Tautenhahn, C Böttcher, S Neumann BMC bioinformatics 9, 1-16, 2008 | 1233 | 2008 |
| CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets C Kuhl, R Tautenhahn, C Bottcher, TR Larson, S Neumann Analytical chemistry 84 (1), 283-289, 2012 | 1161 | 2012 |
| Feature-based molecular networking in the GNPS analysis environment LF Nothias, D Petras, R Schmid, K Dührkop, J Rainer, A Sarvepalli, ... Nature methods 17 (9), 905-908, 2020 | 906 | 2020 |
| MetFrag relaunched: incorporating strategies beyond in silico fragmentation C Ruttkies, EL Schymanski, S Wolf, J Hollender, S Neumann Journal of cheminformatics 8, 1-16, 2016 | 906 | 2016 |
| In silico fragmentation for computer assisted identification of metabolite mass spectra S Wolf, S Schmidt, M Müller-Hannemann, S Neumann BMC bioinformatics 11, 1-12, 2010 | 747 | 2010 |
| mzML—a community standard for mass spectrometry data L Martens, M Chambers, M Sturm, D Kessner, F Levander, J Shofstahl, ... Molecular & Cellular Proteomics 10 (1), 2011 | 704 | 2011 |
| MetaboLights—an open-access general-purpose repository for metabolomics studies and associated meta-data K Haug, RM Salek, P Conesa, J Hastings, P De Matos, M Rijnbeek, ... Nucleic acids research 41 (D1), D781-D786, 2013 | 703 | 2013 |
| Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics WB Dunn, A Erban, RJM Weber, DJ Creek, M Brown, R Breitling, ... Metabolomics 9, 44-66, 2013 | 633 | 2013 |
| Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices S Alseekh, A Aharoni, Y Brotman, K Contrepois, J D’Auria, J Ewald, ... Nature methods 18 (7), 747-756, 2021 | 562 | 2021 |
| Mass spectral databases for LC/MS-and GC/MS-based metabolomics: State of the field and future prospects M Vinaixa, EL Schymanski, S Neumann, M Navarro, RM Salek, O Yanes TrAC Trends in Analytical Chemistry 78, 23-35, 2016 | 543 | 2016 |
| Toward interoperable bioscience data SA Sansone, P Rocca-Serra, D Field, E Maguire, C Taylor, O Hofmann, ... Nature genetics 44 (2), 121-126, 2012 | 484 | 2012 |
| Effect-directed analysis supporting monitoring of aquatic environments—an in-depth overview W Brack, S Ait-Aissa, RM Burgess, W Busch, N Creusot, C Di Paolo, ... Science of the Total Environment 544, 1073-1118, 2016 | 413 | 2016 |
| Future water quality monitoring—Adapting tools to deal with mixtures of pollutants in water resource management R Altenburger, S Ait-Aissa, P Antczak, T Backhaus, D Barceló, TB Seiler, ... Science of the total environment 512, 540-551, 2015 | 354 | 2015 |
| IPO: a tool for automated optimization of XCMS parameters G Libiseller, M Dvorzak, U Kleb, E Gander, T Eisenberg, F Madeo, ... BMC bioinformatics 16, 1-10, 2015 | 337 | 2015 |
| ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level P Rocca-Serra, M Brandizi, E Maguire, N Sklyar, C Taylor, K Begley, ... Bioinformatics 26 (18), 2354-2356, 2010 | 320 | 2010 |
| RAMClust: a novel feature clustering method enables spectral-matching-based annotation for metabolomics data CD Broeckling, FA Afsar, S Neumann, A Ben-Hur, JE Prenni Analytical chemistry 86 (14), 6812-6817, 2014 | 300 | 2014 |
| Metabolite identification: are you sure? And how do your peers gauge your confidence? DJ Creek, WB Dunn, O Fiehn, JL Griffin, RD Hall, Z Lei, R Mistrik, ... Metabolomics 10, 350-353, 2014 | 248 | 2014 |
| The SOLUTIONS project: challenges and responses for present and future emerging pollutants in land and water resources management W Brack, R Altenburger, G Schüürmann, M Krauss, DL Herráez, J van Gils, ... Science of the total environment 503, 22-31, 2015 | 245 | 2015 |
Emma SchymanskiFull Prof & PI, Environmental Cheminformatics, LCSB, Uni Luxembourg在 uni.lu 的电子邮件经过验证
