In Silico Prediction of Oral Acute Rodent Toxicity Using Consensus Machine Learning. - Sebastian Schieferdecker; Florian Rottach; Esther Vock (J. Chem. Inf. Model., 2024)

Molecular Machine Learning Using Euler Characteristic Transforms. - Víctor Toscano-Durán; Florian Rottach; Bastian Rieck (CoRR, 2025)

The topology of molecular representations and its influence on machine learning performance. - Florian Rottach; Sebastian Schieferdecker; Carsten Eickhoff (J. Cheminformatics, 2025)