Add find_molecule endpoint

InformaticsMatters / fragnet

Fragment network tooling

Apache License 2.0

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Add find_molecule endpoint #43

Closed tdudgeon closed 3 years ago

tdudgeon commented 3 years ago

As part of the work for Ox Uni (Ruben Sanchez Garcia) we need to add an endpoint that can be used to determine if a molecule is present in the database. Should allow a SMILES to be specified and return basic info for the molecule if it exists.

tdudgeon commented 3 years ago

This is now available using an endpoint like this: curl "$FRAGNET_SERVER:8080/fragnet-search/rest/v2/search/molecule/OC(Cn1ccnn1)C1CC1"