Feature request: 'de/select all' in RDKit Functional Group Filter node

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1

Hi,

Possibly already requested but I feel the ability to de/select all active functional group filters in a list would be a useful enhancement to the RDKit Functional Group Filter node. I use it e.g. for filtering PAINS, and now manually need to set 480 tick boxes…unless I am missing something obvious?

Thx/Evert

2

Thank you for this request, I will add this to an internal ticket I’ve created for something similar.

3

Hi,

I have similar question. I want to get all lists of all molecules having one of functional group. To have as many lists as there are functional groups. Is there any loop that would allow to set/check one group at a time (maybe via parameters setting) and iterate by all groups.

Thanks!

4

Hi @Andrii ,

Could you post this question in a new forum post since it seems different enough to warrant it’s own q&a. In your new post, could you post (1) data, (2) a workflow, and (3) expected output? Thanks.

5

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