no code implementations • 8 Sep 2021 • Théau Debroise, Rose Hoste, Quentin Chamayou, Hervé Minoux, Bruno Filoche-Rommé, Marc Bianciotto, Jean-Philippe Rameau, Laurent Schio, Maximilien Levesque
Since the rise of the SARS-CoV-2 pandemic in the winter of 2019, the need for an affordable and efficient drug has not yet been met.
no code implementations • 15 Sep 2020 • Maxime Langevin, Herve Minoux, Maximilien Levesque, Marc Bianciotto
Without enforcing such constraints, the probability of generating molecules with the required scaffold is extremely low and hinders the practicality of generative models for de-novo drug design.