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Marcus Ludwig

8PUBLICATIONS
44CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designMetabolomic chemistryTheoretical and computational chemistry not elsewhere classifiedBiological network analysis
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Journal

Publications (8)

Sort by Publication Date:
|Oct 28, 2025
Barcode-free hit discovery from massive libraries enabled by automated small molecule structure annotation.

Edith van der Nol, Nils Alexander Haupt, Qing Qing Gao

|Jan 09, 2025
Coverage bias in small molecule machine learning.

Fleming Kretschmer, Jan Seipp, Marcus Ludwig

|Mar 29, 2023
MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem.

Martin A Hoffmann, Fleming Kretschmer, Marcus Ludwig

|Oct 15, 2021
High-confidence structural annotation of metabolites absent from spectral libraries.

Martin A Hoffmann, Louis-Félix Nothias, Marcus Ludwig

|Nov 24, 2020
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra.

Kai Dührkop, Louis-Félix Nothias, Markus Fleischauer

|Nov 17, 2020
Chemically informed analyses of metabolomics mass spectrometry data with Qemistree.

Anupriya Tripathi, Yoshiki Vázquez-Baeza, Julia M Gauglitz

Pageof 2

Frequent Collaborators

8 joint publications

Sebastian Böcker

5 joint publications

Kai Dührkop

4 joint publications

Markus Fleischauer

4 joint publications

Pieter C Dorrestein

3 joint publications

Martin A Hoffmann

2 joint publications

Alexander A Aksenov

2 joint publications

Louis-Félix Nothias

2 joint publications

Juho Rousu

2 joint publications

Michael Witting

2 joint publications

Justin J J van der Hooft

Frequent Collaborators

8 joint publications

Sebastian Böcker

5 joint publications

Kai Dührkop

4 joint publications

Markus Fleischauer

4 joint publications

Pieter C Dorrestein

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