Publications of Martin A. Hoffmann

Journal Article (3)

2021
Journal Article
Hoffmann, M. A.; Nothias, L.-F.; Ludwig, M.; Fleischauer, M.; Gentry, E. C.; Witting, M.; Dorrestein, P. C.; Dührkop, K.; Böcker, S.: High-confidence structural annotation of metabolites absent from spectral libraries. Nature Biotechnology 40 (3), pp. 1 - 11 (2021)
Journal Article
Dührkop, K.; Nothias, L. F.; Fleischauer, M.; Reher, R.; Ludwig, M.; Hoffmann, M. A.; Petras, D.; Gerwick, W. H.; Rousu, J.; Dorrestein, P. C. et al.; Böcker, S.: Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra. Nature Biotechnology 39, pp. 462 - 471 (2021)
2020
Journal Article
Ludwig, M.; Nothias, L.-F.; Dührkop, K.; Koester, I.; Fleischauer, M.; Hoffmann, M. A.; Petras, D.; Vargas, F.; Morsy, M.; Aluwihare, L. et al.; Dorrestein, P. C.; Böcker, S.: Database-independent molecular formula annotation using Gibbs sampling through ZODIAC. Nature Machine Intelligence 2 (10), pp. 629 - 641 (2020)

Preprint (1)

2021
Preprint
Hoffmann, M. A.; Nothias, L.-F.; Ludwig, M.; Fleischauer, M.; Gentry, E. C.; Witting, M.; Dorrestein, P. C.; Dührkop, K.; Böcker, S.: Assigning confidence to structural annotations from mass spectra with COSMIC. (submitted)
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