Yasmine Nahal, Janosch Menke, Julien Martinelli, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski. Human-in-the-loop active learning for goal-oriented molecule generation. J. Cheminformatics, 16(1):138, December 2024. [doi]
Abstract is missing.