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2020 – today
- 2024
[j4]Wouter Heyndrickx
, Lewis H. Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balazs Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher N. Luscombe, Darren V. S. Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen D. Pickett, Gergely Ács, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans:
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. J. Chem. Inf. Model. 64(7): 2331-2344 (2024)- 2022
- [p1]Andre Droschinsky, Lina Humbeck, Oliver Koch, Nils M. Kriege, Petra Mutzel, Till Schäfer:
Graph-Based Methods for Rational Drug Design. Algorithms for Big Data 2022: 76-96 - 2021
- [j3]Jaak Simm, Lina Humbeck, Adam Zalewski, Noé Sturm, Wouter Heyndrickx, Yves Moreau, Bernd Beck, Ansgar Schuffenhauer:
Splitting chemical structure data sets for federated privacy-preserving machine learning. J. Cheminformatics 13(1): 96 (2021)
2010 – 2019
- 2019
- [r1]Oliver Koch, Nils M. Kriege, Lina Humbeck:
Chemical Similarity and Substructure Searches. Encyclopedia of Bioinformatics and Computational Biology (2) 2019: 640-649 - 2018
- [j2]Julia B. Jasper, Lina Humbeck, Tobias Brinkjost, Oliver Koch:
A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening. J. Cheminformatics 10(1): 15:1-15:13 (2018) - 2017
- [j1]Till Schäfer, Nils M. Kriege, Lina Humbeck, Karsten Klein, Oliver Koch, Petra Mutzel:
Scaffold Hunter: a comprehensive visual analytics framework for drug discovery. J. Cheminformatics 9(1): 28:1-28:18 (2017)
Coauthor Index
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