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)

Molecular Assays Simulator to Unravel Predictors Hacking in Goal-Directed Molecular Generations. - Philippe Gendreau; Joseph-André Turk; Nicolas Drizard; Vinicius Barros Ribeiro da Silva; Clarisse Descamps; Yann Gaston-Mathé (J. Chem. Inf. Model., 2023)

Integrating synthetic accessibility with AI-based generative drug design. - Maud Parrot; Hamza Tajmouati; Vinicius Barros Ribeiro da Silva; Brian Ross Atwood; Robin Fourcade; Yann Gaston-Mathé; Nicolas Do Huu; Quentin Perron (J. Cheminformatics, 2023)