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Journal of Cheminformatics|April 2, 2022
Explaining and avoiding failure modes in goal-directed generation of small moleculesMaxime Langevin, Rodolphe Vuilleumier, Marc Bianciotto
Journal of Chemical Information and Modeling|December 10, 2020
Scaffold-Constrained Molecular GenerationMaxime Langevin, Hervé Minoux, Maximilien Levesque, et al.
Journal of the American Chemical Society|August 8, 2022
Machine Learning Yield Prediction from NiCOlit, a Small-Size Literature Data Set of Nickel Catalyzed C-O CouplingsJules Schleinitz, Maxime Langevin, Yanis Smail, et al.
ACS Omega|July 3, 2023
Impact of Applicability Domains to Generative Artificial IntelligenceMaxime Langevin, Christoph Grebner, Stefan Güssregen, et al.
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