1. Institute of Structural Biology, Molecular Targets and Therapeutics Center, Helmholtz Munich-Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany
2. BIGCHEM GmbH, Valerystr. 49, 85716 Unterschleißheim, Germany
3. ELLIS Unit Linz, LIT AI Lab, Institute for Machine Learning, Johannes Kepler University Linz, Altenbergerstraße 69, 4040 Linz, Austria
4. Machine Learning Research, Bayer AG, 13342 Berlin, Germany
5. Center for Computational Toxicology and Exposure, Office of Research and Development, United States Environmental Protection Agency, Research Triangle Park, North Carolina 27711, United States
6. Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, 20156 Milano, Italy