1. Laboratory of Chemoinformatics, UMR 7140 University of Strasbourg/CNRS, 4 rue Blaise Pascal, 67000 Strasbourg, France
2. Laboratory of Chemoinformatics and Molecular Modeling, A. M. Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008 Kazan, Russia
3. Department of Material Science and Engineering, Technion─Israel Institute of Technology, 3200003 Haifa, Israel