R-logic dialog

    In R-logic dialog, you can set the number of the R-sites to be occupied in Occurrence field. If the RestH condition is set for an R-group, that means that the hit molecules do not contain ligands on that atom other than hydrogen or those specified as R-group.

    R-logic dialog is available via Empty space, R-group definition context menu and also by right-clicking on R-group label in the scaffold structure.


    Valid values for Occurrence:

    • Exact number, e.g. 2

    • Less than (>) + number, e.g. <4

    • Greater than (<) + number, e.g. >1

    • Range, e.g. 2-3

    Related pages

    R-group dialog

    Empty Space Context menu

    R-group label Context Menu

    R-group representation and editing options

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