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17.3 Annotate By Substructure
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This feature allows you to annotate a chemical spreadsheet according to functional group. It also allows you to flag substructures which may have poor ADME properties.

First read in a chemical spreadsheet or sdf file you wish to annotate. To do this:

To annotate functional groups:

To annotate potentially poor ADME groups (Substructure Alert).

To annotate by custom fragments

To draw a fragment and annotate.


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