Multi-objective optimization via equivariant deep hypervolume approximation. - Jim Boelrijk; Bernd Ensing; Patrick Forré (ICLR, 2023)

Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data. - Jim Boelrijk; Denice van Herwerden; Bernd Ensing; Patrick Forré; Saer Samanipour (J. Cheminformatics, 2023)