Kai Dührkop

21 papers A* 1B 1C 2Misc 1Journal 14
YearRankTypeTitle / Venue / Authors
2025 J jnl
Chemical characteristics vectors map the chemical space of natural biomes from untargeted mass spectrometry data.
J. Cheminformatics
Pilleriin Peets, Aristeidis Litos, Kai Dührkop, Daniel R. Garza, Justin J. J. van der Hooft, Sebastian Böcker, Bas E. Dutilh
2024 A* conf
MassSpecGym: A benchmark for the discovery and identification of molecules.
NeurIPS
Roman Bushuiev, Anton Bushuiev, Niek F. de Jonge, Adamo Young, Fleming Kretschmer, Raman Samusevich, Janne Heirman, Fei Wang, Luke Zhang, Kai Dührkop, Marcus Ludwig, Nils A. Haupt, Apurva Kalia, Corinna Brungs, Robin Schmid, Russell Greiner, Bo Wang, David S. Wishart, Liping Liu, Juho Rousu, Wout Bittremieux, Hannes Rost, Tytus D. Mak, Soha Hassoun, Florian Huber, Justin J. J. van der Hooft, Michael A. Stravs, Sebastian Böcker, Josef Sivic, Tomás Pluskal
2024 J jnl
MassSpecGym: A benchmark for the discovery and identification of molecules.
CoRR
Roman Bushuiev, Anton Bushuiev, Niek F. de Jonge, Adamo Young, Fleming Kretschmer, Raman Samusevich, Janne Heirman, Fei Wang, Luke Zhang, Kai Dührkop, Marcus Ludwig, Nils A. Haupt, Apurva Kalia, Corinna Brungs, Robin Schmid, Russell Greiner, Bo Wang, David S. Wishart, Li-Ping Liu, Juho Rousu, Wout Bittremieux, Hannes Rost, Tytus D. Mak, Soha Hassoun, Florian Huber, Justin J. J. van der Hooft, Michael A. Stravs, Sebastian Böcker, Josef Sivic, Tomás Pluskal
2022 J jnl
Deep kernel learning improves molecular fingerprint prediction from tandem mass spectra.
Bioinform.
Kai Dührkop
2020 J jnl
Database-independent molecular formula annotation using Gibbs sampling through ZODIAC.
Nat. Mach. Intell.
Marcus Ludwig, Louis-Félix Nothias, Kai Dührkop, Irina Koester, Markus Fleischauer, Martin A. Hoffmann, Daniel Petras, Fernando Vargas, Mustafa Morsy, Lihini Aluwihare, Pieter C. Dorrestein, Sebastian Böcker
2020 J jnl
Publisher Correction: Database-independent molecular formula annotation using Gibbs sampling through ZODIAC.
Nat. Mach. Intell.
Marcus Ludwig, Louis-Félix Nothias, Kai Dührkop, Irina Koester, Markus Fleischauer, Martin A. Hoffmann, Daniel Petras, Fernando Vargas, Mustafa Morsy, Lihini Aluwihare, Pieter C. Dorrestein, Sebastian Böcker
2019 J jnl
Computational methods for small molecule identification.
it Inf. Technol.
Kai Dührkop
2018 J jnl
Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints.
Bioinform.
Marcus Ludwig, Kai Dührkop, Sebastian Böcker
2018 — ch.
Computational Methods for Small Molecule Identification.
Ausgezeichnete Informatikdissertationen
Kai Dührkop
2018 — —
Computational methods for small molecule identification.
Kai Dührkop
2018 C conf
Heuristic Algorithms for the Maximum Colorful Subtree Problem.
WABI
Kai Dührkop, Marie Anne Lataretu, W. Timothy J. White, Sebastian Böcker
2018 J jnl
Heuristic algorithms for the Maximum Colorful Subtree problem.
CoRR
Kai Dührkop, Marie Anne Lataretu, W. Timothy J. White, Sebastian Böcker
2017 J jnl
Critical Assessment of Small Molecule Identification 2016: automated methods.
J. Cheminformatics
Emma Schymanski, Christoph Ruttkies, Martin Krauss, Céline Brouard, Tobias Kind, Kai Dührkop, Felicity Allen, Arpana Vaniya, Dries Verdegem, Sebastian Böcker, Juho Rousu, Huibin Shen, Hiroshi Tsugawa, Tanvir Sajed, Oliver Fiehn, Bart Ghesquière, Steffen Neumann
2016 J jnl
Fast metabolite identification with Input Output Kernel Regression.
Bioinform.
Céline Brouard, Huibin Shen, Kai Dührkop, Florence d'Alché-Buc, Sebastian Böcker, Juho Rousu
2016 J jnl
Fragmentation trees reloaded.
J. Cheminformatics
Sebastian Böcker, Kai Dührkop
2015 B conf
Fragmentation Trees Reloaded.
RECOMB
Kai Dührkop, Sebastian Böcker
2015 Misc conf
Speedy Colorful Subtrees.
COCOON
W. Timothy J. White, Stephan Beyer, Kai Dührkop, Markus Chimani, Sebastian Böcker
2014 J jnl
Fragmentation trees reloaded.
CoRR
Kai Dührkop, Sebastian Böcker
2014 J jnl
Metabolite identification through multiple kernel learning on fragmentation trees.
Bioinform.
Huibin Shen, Kai Dührkop, Sebastian Böcker, Juho Rousu
2013 C conf
Faster Mass Decomposition.
WABI
Kai Dührkop, Marcus Ludwig, Marvin Meusel, Sebastian Böcker
2012 J jnl
Fast alignment of fragmentation trees.
Bioinform.
Franziska Hufsky, Kai Dührkop, Florian Rasche, Markus Chimani, Sebastian Böcker