Scaffold-Constrained Molecular Generation. - Maxime Langevin; Hervé Minoux; Maximilien Levesque; Marc Bianciotto (J. Chem. Inf. Model., 2020)

Explaining and avoiding failure modes in goal-directed generation of small molecules. - Maxime Langevin; Rodolphe Vuilleumier; Marc Bianciotto (J. Cheminformatics, 2022)

Many-Shot In-Context Learning for Molecular Inverse Design. - Saeed Moayedpour; Alejandro Corrochano-Navarro; Faryad Sahneh; Shahriar Noroozizadeh; Alexander Koetter; Jiri Vymetal; Lorenzo Kogler-Anele; Pablo Mas; Yasser Jangjou; Sizhen Li; Michael Bailey; Marc Bianciotto; et al. (CoRR, 2024)