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Marcus Ludwig
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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
9512019
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
7862020
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
3792021
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
133*2020
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
1272022
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
892021
Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints
M Ludwig, K Dührkop, S Böcker
Bioinformatics 34 (13), i333-i340, 2018
452018
Assigning confidence to structural annotations from mass spectra with COSMIC
MA Hoffmann, LF Nothias, M Ludwig, M Fleischauer, EC Gentry, M Witting, ...
312021
De Novo Molecular Formula Annotation and Structure Elucidation Using SIRIUS 4
M Ludwig, M Fleischauer, K Dührkop, MA Hoffmann, S Böcker
Computational Methods and Data Analysis for Metabolomics, 185-207, 2020
202020
Faster mass decomposition
K Dührkop, M Ludwig, M Meusel, S Böcker
International Workshop on Algorithms in Bioinformatics, 45-58, 2013
182013
Finding characteristic substructures for metabolite classes
M Ludwig, F Hufsky, S Elshamy, S Böcker
German Conference on Bioinformatics, 23-38, 2012
102012
Illuminating the dark metabolome of Pseudo‐nitzschia–microbiome associations
I Koester, ZA Quinlan, LF Nothias, ME White, A Rabines, D Petras, ...
Environmental Microbiology 24 (11), 5408-5424, 2022
72022
MAD HATTER correctly annotates 98% of small molecule tandem mass spectra searching in PubChem
MA Hoffmann, F Kretschmer, M Ludwig, S Böcker
Metabolites 13 (3), 314, 2023
62023
Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale
M Ludwig, CD Broeckling, PC Dorrestein, K Dührkop, EL Schymanski, ...
Journal of the American Society for Mass Spectrometry 32 (1), 180-186, 2020
52020
POMAGO: Multiple Genome-Wide Alignment Tool for Bacteria
N Wieseke, M Lechner, M Ludwig, M Marz
International Symposium on Bioinformatics Research and Applications, 249-260, 2013
32013
SIRIUS 4
K Dührkop, M Fleischauer, M Ludwig, AA Aksenov, AV Melnik, M Meusel, ...
Nature Publishing Group, 2019
12019
Exact and heuristic algorithms for Cograph Editing
WTJ White, M Ludwig, S Böcker
arXiv preprint arXiv:1711.05839, 2017
12017
Bayesian methods for small molecule identification
M Ludwig
Friedrich-Schiller-Universität Jena, 2020
2020
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Articles 1–18