DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment. - Marc Lehner; Paul Katzberger; Niels Maeder; Carl C. G. Schiebroek; Jakob Teetz; Gregory A. Landrum; Sereina Riniker (J. Chem. Inf. Model., 2023)

From mundane to surprising nonadditivity: drivers and impact on ML models. - Laura Guasch; Niels Maeder; John G. Cumming; Christian Kramer (J. Comput. Aided Mol. Des., 2024)