Shape-Based Descriptors for Efficient Structure-Based Fragment Growing. - Patrick Penner; Virginie Y. Martiny; Arnaud Gohier; Marcus Gastreich; Pierre Ducrot; David Brown; Matthias Rarey (J. Chem. Inf. Model., 2020)

Development of a chemogenomics library for phenotypic screening. - Bryan Dafniet; Natacha Cerisier; Batiste Boezio; Anaelle Clary; Pierre Ducrot; Thierry Dorval; Arnaud Gohier; David Brown; Karine Audouze; Olivier Taboureau (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. (CoRR, 2022)

Deep generative models for ligand-based de novo design applied to multi-parametric optimization. - Quentin Perron; Olivier Mirguet; Hamza Tajmouati; Adam Skiredj; Anne Rojas; Arnaud Gohier; Pierre Ducrot; Marie-Pierre Bourguignon; Patricia Sansilvestri-Morel; Nicolas Do Huu; Françoise Gellibert; Yann Gaston-Mathé (J. Comput. Chem., 2022)

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)