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Kai Dührkop
Kai Dührkop
PhD, Lehrstuhl Bioinformatik, Friedrich-Schiller Universität Jena
Bestätigte E-Mail-Adresse bei uni-jena.de - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
9692019
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
8522015
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
7902020
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra
K Dührkop, LF Nothias, M Fleischauer, R Reher, M Ludwig, MA Hoffmann, ...
Nature biotechnology 39 (4), 462-471, 2021
3692021
Fragmentation trees reloaded
S Böcker, K Dührkop
Journal of cheminformatics 8, 1-26, 2016
2042016
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, 1-21, 2017
1842017
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), 1494, 2017
1792017
Integrative analysis of multimodal mass spectrometry data in MZmine 3
R Schmid, S Heuckeroth, A Korf, A Smirnov, O Myers, TS Dyrlund, ...
Nature biotechnology 41 (4), 447-449, 2023
1682023
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment
R Schmid, D Petras, LF Nothias, M Wang, AT Aron, A Jagels, H Tsugawa, ...
Nature communications 12 (1), 3832, 2021
1532021
High-confidence structural annotation of metabolites absent from spectral libraries
MA Hoffmann, LF Nothias, M Ludwig, M Fleischauer, EC Gentry, M Witting, ...
Nature Biotechnology 40 (3), 411-421, 2022
1332022
Metabolite identification through multiple kernel learning on fragmentation trees
H Shen, K Dührkop, S Böcker, J Rousu
Bioinformatics 30 (12), i157-i164, 2014
1222014
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
1212018
Database-independent molecular formula annotation using Gibbs sampling through ZODIAC
M Ludwig, LF Nothias, K Dührkop, I Koester, M Fleischauer, MA Hoffmann, ...
Nature Machine Intelligence 2 (10), 629-641, 2020
1192020
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
982016
Chemically informed analyses of metabolomics mass spectrometry data with Qemistree
A Tripathi, Y Vázquez-Baeza, JM Gauglitz, M Wang, K Dührkop, ...
Nature chemical biology 17 (2), 146-151, 2021
912021
MSNovelist: de novo structure generation from mass spectra
MA Stravs, K Dührkop, S Böcker, N Zamboni
Nature Methods 19 (7), 865-870, 2022
712022
Standardized multi-omics of Earth’s microbiomes reveals microbial and metabolite diversity
JP Shaffer, LF Nothias, LR Thompson, JG Sanders, RA Salido, ...
Nature microbiology 7 (12), 2128-2150, 2022
462022
Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints
M Ludwig, K Dührkop, S Böcker
Bioinformatics 34 (13), i333-i340, 2018
462018
Molecular formula identification with SIRIUS
K Dührkop, K Scheubert, S Böcker
Metabolites 3 (2), 506-516, 2013
462013
Assigning confidence to structural annotations from mass spectra with COSMIC
MA Hoffmann, LF Nothias, M Ludwig, M Fleischauer, EC Gentry, M Witting, ...
BioRxiv, 2021.03. 18.435634, 2021
332021
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