Human-in-the-loop assisted de novo molecular design - Sundin, Iiris; Voronov, Alexey; Xiao, Haoping; Papadopoulos, Kostas; Bjerrum, Esben Jannik; Heinonen, Markus; Patronov, Atanas; Kaski, Samuel; Engkvist, Ola (Journal of Cheminformatics, 2022)