Iiris Sundin, Alexey Voronov, Haoping Xiao, Kostas Papadopoulos, Esben Jannik Bjerrum, Markus Heinonen, Atanas Patronov, Samuel Kaski, Ola Engkvist. Human-in-the-loop assisted de novo molecular design. J. Cheminformatics, 14(1):86, 2022. [doi]
Abstract is missing.