Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models. - Michael Moret; Francesca Grisoni; Paul Katzberger; Gisbert Schneider (J. Chem. Inf. Model., 2022)

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)

Understanding and Quantifying Molecular Flexibility: Torsion Angular Bin Strings. - Jessica Braun; Paul Katzberger; Gregory A. Landrum; Sereina Riniker (J. Chem. Inf. Model., 2024)

lwreg: A Lightweight System for Chemical Registration and Data Storage. - Gregory A. Landrum; Jessica Braun; Paul Katzberger; Marc Lehner; Sereina Riniker (J. Chem. Inf. Model., 2024)