Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets. - Maria H. Rasmussen; Chenru Duan; Heather J. Kulik; Jan H. Jensen (J. Cheminformatics, 2023)

SMILES all around: structure to SMILES conversion for transition metal complexes. - Maria H. Rasmussen; Magnus Strandgaard; Julius Seumer; Laura K. Hemmingsen; Angelo Frei; David Balcells; Jan H. Jensen (J. Cheminformatics, 2025)