Affiliation: | 1. Goethe University, Chair for Chem‐ and Bioinformatics, LIFF, ZAFES, Siesmayerstr. 70, 60323 Frankfurt a.M. (Germany);2. Technical University of Berlin, Chair for Machine Learning, Franklinstr. 28/29, 10587 Berlin (Germany);3. Goethe University, Chair for Pharmaceutical Chemistry, LIFF, ZAFES, Max‐von‐Laue‐Str. 9, 60438 Frankfurt a.M. (Germany);4. AnalytiCon Discovery GmbH, Hermannswerder Haus 17, 14473 Potsdam (Germany);5. Present address: ETH Zürich, Institute of Pharmaceutical Sciences, Wolfgang‐Pauli‐Str. 10, 8093 Zürich (Switzerland) |