Towards Interpretable Models of Chemist Preferences for Human-in-the-Loop Assisted Drug Discovery. - Yasmine Nahal; Markus Heinonen; Mikhail Kabeshov; Jon Paul Janet; Eva Nittinger; Ola Engkvist; Samuel Kaski (AIDD@ICANN, 2024)

Metis: a python-based user interface to collect expert feedback for generative chemistry models. - Janosch Menke; Yasmine Nahal; Esben Jannik Bjerrum; Mikhail Kabeshov; Samuel Kaski; Ola Engkvist (J. Cheminformatics, 2024)

Human-in-the-loop active learning for goal-oriented molecule generation. - Yasmine Nahal; Janosch Menke; Julien Martinelli; Markus Heinonen; Mikhail Kabeshov; Jon Paul Janet; Eva Nittinger; Ola Engkvist; Samuel Kaski (J. Cheminformatics, 2024)

E-GuARD: expert-guided augmentation for the robust detection of compounds interfering with biological assays. - Vincenzo Palmacci; Yasmine Nahal; Matthias Welsch; Ola Engkvist; Samuel Kaski; Johannes Kirchmair (J. Cheminformatics, 2025)