1. Computational and Structural Chemistry, Merck & Co., Inc., Boston, Massachusetts 02115, United States
2. R&D Informatics Solutions, MSD Czech Republic s.r.o., Prague 150 00, Czech Republic
3. AI & Big Data Analytics, MSD Czech Republic s.r.o., Prague 150 00, Czech Republic
4. Foundational Data and Analytics, MSD Czech Republic s.r.o., Prague 150 00, Czech Republic
5. Discovery Research IT, Merck & Co., Inc., Boston, Massachusetts 02115, United States
6. Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology, Prague 166 28, Czech Republic