1 ELLIS Unit Linz, LIT AI Lab & Institute for Machine Learning, Johannes Kepler University Linz, Altenbergerstraße 69, Linz 4040, Austria.
2 Machine Learning Research, Pfizer Worldwide Research Development and Medical, Linkstr. 10, Berlin 10785, Germany.
3 Center for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina 27711, United States.
4 Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milano 20156, Italy.
5 Institute of Structural Biology, Molecular Targets and Therapeutics Center, Helmholtz Munich - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.