Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices. - Wouter Heyndrickx; Pedro Salvador; Patrick Bultinck; Miquel Solà; Eduard Matito (J. Comput. Chem., 2011)

Splitting chemical structure data sets for federated privacy-preserving machine learning. - Jaak Simm; Lina Humbeck; Adam Zalewski; Noé Sturm; Wouter Heyndrickx; Yves Moreau; Bernd Beck; Ansgar Schuffenhauer (J. Cheminformatics, 2021)

Industry-Scale Orchestrated Federated Learning for Drug Discovery. - Martijn Oldenhof; Gergely Ács; Balázs Pejó; Ansgar Schuffenhauer; Nicholas Holway; Noé Sturm; Arne Dieckmann; Oliver Fortmeier; Eric Boniface; Clément Mayer; Arnaud Gohier; Peter Schmidtke; et al. (AAAI, 2023)

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. - 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; et al. (J. Chem. Inf. Model., 2024)