Kai Dührkop

11PUBLICATIONS
71CO-AUTHORS
Metabolic medicineMetabolomic chemistryMetal organic frameworksBiomolecular modelling and designTheoretical and computational chemistry not elsewhere classified
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Publications (11)

|Jul 27, 2025
Enhancing tandem mass spectrometry-based metabolite annotation with online chemical labeling.

Giovanni Andrea Vitale, Shu-Ning Xia, Kai Dührkop

|Jul 14, 2022
Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter.

Carsten Simon, Kai Dührkop, Daniel Petras

|May 31, 2022
MSNovelist: de novo structure generation from mass spectra.

Michael A Stravs, Kai Dührkop, Sebastian Böcker

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

Martin A Hoffmann, Louis-Félix Nothias, Marcus Ludwig

|Jun 23, 2021
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment.

Robin Schmid, Daniel Petras, Louis-Félix Nothias

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