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mSorok / NaturalProductsOnline

Website code for COCONUT
https://coconut.naturalproducts.net/
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API for tanimoto similarity #107

Open aiswaryapawar opened 1 year ago

aiswaryapawar commented 1 year ago

Hello,

I see that there is an API option for substructure search, but there isn't an option for tanimoto similarity. This is for the substructure search: https://coconut.naturalproducts.net/api/search/substructure?type=default&max-hits=100&smiles=O=C1OC(C(O)=C1O)CO

May I know, what is the API for the tanimoto search.

Thanks A

Kohulan commented 1 year ago

Hi @aiswaryapawar , You could try the following, https://coconut.naturalproducts.net/api/search/similarity?simThreshold=90type=default&max-hits=100&smiles=O=C1OC(C(O)=C1O)CO

Hope this helps.