Selection of the descriptors to be exported

In the 'Descriptor selection' tab of the window 'Export descriptors', all the Dragon molecular descriptors are listed on the basis of their logical blocks and sub-blocks. The user can select the blocks, sub-blocks and single descriptors to be saved in the output file by checking the corresponding check boxes.

 

Note that check boxes corresponding to descriptor blocks (or sub-blocks or single descriptors) previously excluded from the calculation will be disabled.

 

The total number of selected molecular descriptors together with basic information on them is reported under the tab.

 

window_export_select