Kai Dührkop

Researcher, Bright Giant GmbH

Joined

June 2023

Names

Kai Dührkop (Preferred)

Emails

****@uni-jena.de (Confirmed)

****@bright-giant.com (Confirmed)

Personal Links

DBLP

ORCID

Career & Education History

Researcher

Bright Giant GmbH (bright-giant.com)

2024 – Present

Postdoc

Friedrich-Schiller Universität Jena (uni-jena.de)

2017 – 2024

Advisors, Relations & Conflicts

PhD Advisor

Sebastian Böcker

Present

Expertise

computational metabolomics

Present

mass spectrometry

Present

bioinformatics

Present

Publications

MassSpecGym: A benchmark for the discovery and identification of molecules
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 Wishart, Liping Liu, Juho Rousu et al. (10 additional authors not shown)
- NeurIPS 2024 Track Datasets and Benchmarks Spotlight
- Readers: Everyone
MassSpecGym: A benchmark for the discovery and identification of molecules
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 et al. (10 additional authors not shown)
- NeurIPS 2024
- Readers: Everyone
Deep kernel learning improves molecular fingerprint prediction from tandem mass spectra
Kai Dührkop
- Bioinform. 2022
- Readers: Everyone
Database-independent molecular formula annotation using Gibbs sampling through ZODIAC
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
- Nat. Mach. Intell. 2020
- Readers: Everyone
Computational methods for small molecule identification
Kai Dührkop
- it Inf. Technol. 2019
- Readers: Everyone
Heuristic Algorithms for the Maximum Colorful Subtree Problem
Kai Dührkop, Marie Anne Lataretu, W. Timothy J. White, Sebastian Böcker
- WABI 2018
- Readers: Everyone
Computational Methods for Small Molecule Identification
Kai Dührkop
- Ausgezeichnete Informatikdissertationen 2018
- Readers: Everyone
Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints
Marcus Ludwig, Kai Dührkop, Sebastian Böcker
- Bioinform. 2018
- Readers: Everyone
Heuristic algorithms for the Maximum Colorful Subtree problem
Kai Dührkop, Marie Anne Lataretu, W. Timothy J. White, Sebastian Böcker
- CoRR 2018
- Readers: Everyone
Critical Assessment of Small Molecule Identification 2016: automated methods
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
- 2017 (modified: 16 Apr 2025)
- J. Cheminformatics 2017
- Readers: Everyone

View all 17 publications

Co-Authors

View all 64 co-authors