Wouter Heyndrickx

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information

Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz et al. · Journal of Chemical Information and Modeling · 2023 · 115 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

An Evolutionary Algorithm for <i>de Novo</i> Optimization of Functional Transition Metal Compounds

Yunhan Chu, Wouter Heyndrickx, Giovanni Occhipinti et al. · Journal of the American Chemical Society · 2012 · 89 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Splitting chemical structure data sets for federated privacy-preserving machine learning

Jaak Simm, Lina Humbeck, Adam Zalewski et al. · Journal of Cheminformatics · 2021 · 61 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +14

Industry-Scale Orchestrated Federated Learning for Drug Discovery

Martijn Oldenhof, Gergely Ács, Balázs Pejó et al. · Proceedings of the AAAI Conference on Artificial Intelligence · 2023 · 44 citations · Full text

Computing, Cloud Computing, Distributed Systems +13

The Nature of the Barrier to Phosphane Dissociation from Grubbs Olefin Metathesis Catalysts

Yury Minenkov, Giovanni Occhipinti, Wouter Heyndrickx et al. · European Journal of Inorganic Chemistry · 2011 · 41 citations

Natural Sciences, Chemistry, Catalysis +14