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. Deep generative models for ligand-based de novo design applied to multi-parametric optimization. Journal of Computational Chemistry, 43(10):692-703, 2022. [doi]
Abstract is missing.