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mSorok / NaturalProductsOnline

Website code for COCONUT
https://coconut.naturalproducts.net/
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search visualization and search download #91

Open AliceDG666 opened 2 years ago

AliceDG666 commented 2 years ago

It would be useful to be able to use the table visualization for the input search. It would also be useful to be able to download a CSV table of the performed search. Also, why are there multiple entries for the same compound? (e.g. valencene, SMILES: C=C(C)C1CCC2=CCCC(C)C2(C)C1).

Thank you Alice

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Kohulan commented 2 years ago

Hi @AliceDG666

This looks like an issue with lotus.naturalproducts.net. Could you raise this issue on https://github.com/lotusnprod/lotus-web/issues ?

I will take into account the feature request.

Best, Kohulan

AliceDG666 commented 2 years ago

Hi @Kohulan, thanks for the reply, I actually encounter the same issue with coconut and watermelon. Shall I report to the relative githubs?

Cheers, Alice

Kohulan commented 2 years ago

Hi. @AliceDG666 ,

The issue regarding the molecule "Valencene" is not present in the COCONUT database. The feature you request we will look into it.

So you could report the issue in LOTUS and Watermelon.

Best, Kohulan

steinbeck commented 2 years ago

I will report on the Valence issue on the LOTUS github. The two original entries for Valencene in Wikidata (https://www.wikidata.org/wiki/Q289496 and http://www.wikidata.org/entity/Q105219112) are different. One has no stereochemistry but species annotations and the other one has stereochemistry. The two InChI keys are different. I guess they should still be merged on LOTUS.

steinbeck commented 2 years ago

@AliceDG666, can you also comment on how you want the tabel visualisation look like?

AliceDG666 commented 2 years ago

@steinbeck thanks for your reply. It would be good if the general table visualization could be extended to the search results. The visualization in the general database would do just fine, so that it would be possible to see (and perhaps sort?) the search in alphabetical order.

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