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Markus Fleischauer
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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
9692019
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
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
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
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
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
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
Classes for the masses: systematic classification of unknowns using fragmentation spectra
K Dührkop, LF Nothias, M Fleischauer, M Ludwig, MA Hoffmann, J Rousu, ...
BioRxiv, 2020.04. 17.046672, 2020
232020
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
222020
ZODIAC: Database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules
M Ludwig, LF Nothias, K Dührkop, I Koester, M Fleischauer, MA Hoffmann, ...
biorxiv, 842740, 2019
212019
Bad Clade Deletion supertrees: a fast and accurate supertree algorithm
M Fleischauer, S Böcker
Molecular biology and evolution 34 (9), 2408-2421, 2017
152017
Collecting reliable clades using the greedy strict consensus merger
M Fleischauer, S Böcker
PeerJ 4, e2172, 2016
122016
Feature-based Molecular Networking in the GNPS Analysis Environment. bioRxiv, 812404
LF Nothias, D Petras, R Schmid, K Dührkop, J Rainer, A Sarvepalli, ...
72019
SIRIUS 4
K Dührkop, M Fleischauer, M Ludwig, AA Aksenov, AV Melnik, M Meusel, ...
Nature Publishing Group, 2019
12019
BCD Beam Search: considering suboptimal partial solutions in Bad Clade Deletion supertrees
M Fleischauer, S Böcker
PeerJ 6, e4987, 2018
12018
Database-independent molecular formula annotation using Gibbs sampling through ZODIAC (vol 2, pg 629, 2020)
M Ludwig, LF Nothias, K Duhrkop, I Koester, M Fleischauer, MA Hoffmann, ...
NATURE MACHINE INTELLIGENCE, 2020
2020
Fast and accurate supertrees: towards large scale phylogenies
M Fleischauer
Dissertation, Jena, Friedrich-Schiller-Universität Jena, 2018, 2018
2018
SIRIUS 3 Documentation
S Böcker, K Dührkop, M Fleischauer, M Ludwig
2017
SIRIUS 4: Turning tandem mass spectra into metabolite structure information
K Dührkop, M Fleischauer, M Ludwig, AA Aksenov, AV Melnik, M Meusel, ...
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