Comments (3)
@puehringer What do you mean by Allows substructure & SMARTS queries via the filter interface
? How should the integration in the current filter dialog look like?
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@thinkh Ideally, one would be able to write SMILES/SMARTS into the textarea, a request is sent with the current set of structures + the query, and the resulting true/false map is used as filter. In the future, a chemical drawing addon might be used instead of the textarea. Searching for exact matches (as it does now) would be rather uncommon, but work as-is with the proposed approach (as substructure === structure).
I.e. ideally we would have a custom filter menu there, as otherwise things become messy.
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Thanks for the explanation. If I'm not mistaken, then explanation would still need another API endpoint to generate the filter map.
Furthermore, I agree that we will need a custom filter dialog then.
I'm not sure if we can implement all of this until the demo, but we'll try. Otherwise I will open a follow-up issue.
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