Martin A Hoffmann

4PUBLICATIONS
11CO-AUTHORS
Recordkeeping informaticsMetabolomic chemistryTheoretical and computational chemistry not elsewhere classifiedCheminformatics and quantitative structure-activity relationships
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Publications (4)

|Jan 09, 2024
RepoRT: a comprehensive repository for small molecule retention times.

Fleming Kretschmer, Eva-Maria Harrieder, Martin A Hoffmann

|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

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