Basic calculation

Users can follow the flow chart below in order to calculate Dragon descriptors and export them for further analysis. Options for calculation and result export are set according to the standard template. Operations to be carried out are the following: the shortcut 'Molecules' icon_load to load the molecular structure files of interest; the shortcut 'Descriptors' icon_descriptors; then click the button 'Calculate' to start calculation of the standard Dragon descriptors; the shortcut 'Export' icon_save to store the calculated molecular descriptors in the output file.