1. Laboratory of Chemoinformatics, University of Strasbourg, 1 rue B. Pascal, 67000 Strasbourg, France
2. Departamento de Quı́mica and REQUIMTE, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa 2829-516 Caparica, Portugal
3. eNovalys, 1 Rue Jean Sapidus, Batiment Pythagore, 67400 Illkirch, France
4. Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan 420008, Russia