1. Department of Chemical Informatics, Faculty of Education, University of Szeged, Boldogasszony sgt. 6, H-6725 Szeged, Hungary
2. Chemical Engineering, School of Engineering and Physical Sciences, Heriot-Watt University, EH14 4AS Edinburgh, U.K.
3. Department of Chemistry, Budapest University of Technology and Economics, Szt. Gellért tér 4, H-1111 Budapest, Hungary
4. Discovery Chemistry, Gedeon Richter Plc, POB 27, H-1475 Budapest, Hungary
5. Department of General and Analytical Chemistry, Budapest University of Technology and Economics, Szt. Gellért tér 4, H-1111 Budapest, Hungary