1. Laboratoire de Chémoinformatique; UMR 7140 CNRS; Université de Strasbourg; 1, rue Blaise Pascal 67000 Strasbourg France
2. Laboratory of Chemoinformatics and Molecular Modeling; Butlerov Institut of Chemistry; Kazan Federal University; Kremlevskaya 18 Kazan Russia
3. A.N. Frumkin Institute of Physical Chemistry and Electrochemistry; Russian Academy of Sciences; Leninskiy prosp., 31 119071 Moscow Russia