Laboratory of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technickxc3xa1 5, CZ-166 28, Prague, Czech Republic.|Laboratory of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technickxc3xa1 5, CZ-166 28, Prague, Czech Republic. hoksza@ksi.mff.cuni.cz.|Laboratory of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technickxc3xa1 5, CZ-166 28, Prague, Czech Republic. svozild@vscht.cz.