Deep Bayesian Experimental Design for Drug Discovery. - Muhammad Arslan Masood; Tianyu Cui; Samuel Kaski (AIDD@ICANN, 2024)

Balancing Imbalanced Toxicity Models: Using MolBERT with Focal Loss. - Muhammad Arslan Masood; Samuel Kaski; Hugo Ceulemans; Dorota Herman; Markus Heinonen (AIDD@ICANN, 2024)

Molecular property prediction using pretrained-BERT and Bayesian active learning: a data-efficient approach to drug design. - Muhammad Arslan Masood; Samuel Kaski; Tianyu Cui (J. Cheminformatics, 2025)