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Selection of the descriptors to be exported |
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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.
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