| Searching molecular structure databases with tandem mass spectra using CSI: FingerID K Dührkop, H Shen, M Meusel, J Rousu, S Böcker Proceedings of the National Academy of Sciences 112 (41), 12580-12585, 2015 | 358 | 2015 |
| SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information K Dührkop, M Fleischauer, M Ludwig, AA Aksenov, AV Melnik, M Meusel, ... Nature methods 16 (4), 299-302, 2019 | 148 | 2019 |
| Critical assessment of small molecule identification 2016: automated methods EL Schymanski, C Ruttkies, M Krauss, C Brouard, T Kind, K Dührkop, ... Journal of cheminformatics 9 (1), 22, 2017 | 99 | 2017 |
| Fragmentation trees reloaded S Böcker, K Dührkop Journal of cheminformatics 8 (1), 5, 2016 | 83 | 2016 |
| Significance estimation for large scale metabolomics annotations by spectral matching K Scheubert, F Hufsky, D Petras, M Wang, LF Nothias, K Dührkop, ... Nature communications 8 (1), 1-10, 2017 | 77 | 2017 |
| Metabolite identification through multiple kernel learning on fragmentation trees H Shen, K Dührkop, S Böcker, J Rousu Bioinformatics 30 (12), i157-i164, 2014 | 75 | 2014 |
| 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 | 54 | 2020 |
| Fast metabolite identification with input output kernel regression C Brouard, H Shen, K Dührkop, F d'Alché-Buc, S Böcker, J Rousu Bioinformatics 32 (12), i28-i36, 2016 | 54 | 2016 |
| Current challenges in plant eco-metabolomics K Peters, A Worrich, A Weinhold, O Alka, G Balcke, C Birkemeyer, ... International journal of molecular sciences 19 (5), 1385, 2018 | 42 | 2018 |
| Molecular formula identification with SIRIUS K Dührkop, K Scheubert, S Böcker Metabolites 3 (2), 506-516, 2013 | 23 | 2013 |
| Molecular formula identification using isotope pattern analysis and calculation of fragmentation trees K Dührkop, F Hufsky, S Böcker Mass Spectrometry 3 (Special_Issue_2), S0037-S0037, 2014 | 22 | 2014 |
| Fast alignment of fragmentation trees F Hufsky, K Dührkop, F Rasche, M Chimani, S Böcker Bioinformatics 28 (12), i265-i273, 2012 | 16 | 2012 |
| Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints M Ludwig, K Dührkop, S Böcker Bioinformatics 34 (13), i333-i340, 2018 | 14 | 2018 |
| Fragmentation trees reloaded K Dührkop, S Böcker International Conference on Research in Computational Molecular Biology, 65-79, 2015 | 14 | 2015 |
| Speedy colorful subtrees WTJ White, S Beyer, K Dührkop, M Chimani, S Böcker International Computing and Combinatorics Conference, 310-322, 2015 | 9 | 2015 |
| Faster mass decomposition K Dührkop, M Ludwig, M Meusel, S Böcker International Workshop on Algorithms in Bioinformatics, 45-58, 2013 | 9 | 2013 |
| Heuristic algorithms for the maximum colorful subtree problem K Dührkop, MA Lataretu, WTJ White, S Böcker arXiv preprint arXiv:1801.07456, 2018 | 7 | 2018 |
| Classes for the masses: Systematic classification of unknowns using fragmentation spectra K Dührkop, LF Nothias, M Fleischauer, M Ludwig, MA Hoffmann, J Rousu, ... bioRxiv, 2020 | 5 | 2020 |
| Ion Identity Molecular Networking in the GNPS Environment R Schmid, D Petras, LF Nothias, M Wang, AT Aron, A Jagels, H Tsugawa, ... bioRxiv, 2020 | 4 | 2020 |
| Computational methods for small molecule identification K Dührkop it-Information Technology 61 (5-6), 285-292, 2019 | 4 | 2019 |
Sebastian BöckerProfessor für Bioinformatik, FSU JenaVerified email at uni-jena.de
