Closed bdeadman closed 3 months ago
Some example reaction_id and dataset_id for testing. The SMILES string should be an enantiomeric product (why I was looking for these particular reactions).
CCC@HN(Cc1ccccc1)Cc1ccccc1 | ord-7b927700e3414788865b46a4d4b18c44 | ord_dataset-5540e162c09f4c04905ddc8ba9c931c6
C#CC@(C=O)CO | ord-9b830b3dea9b4c68b349f901df69e119 | ord_dataset-6a0bfcdf53a64c07987822162ae591e2
CC@@Hc1ccccc1 | ord-6f58b9fc4228408184023447b55ae3a4 | ord_dataset-8d1e28ec1f6b4ee8ad372e0b5ed7a62e
CC@@Hc1ccccc1 | ord-a663ff34689a412ca6c338620b30a40e | ord_dataset-8d1e28ec1f6b4ee8ad372e0b5ed7a62e
Same for ord_dataset-04982f13ed08448d93df6794846500f3
The dataset queries are working again (on staging), but I'm still not finding all the reaction IDs; will do some digging.
OK there's a JSON error in the new API on staging; will fix and redeploy to staging.
@skearnes from my testing I am finding (on both production and staging) that searching by dataset ID and reaction ID is finding them now (at least the ones listed above).
Searching by product is a bit troublesome. As a mean test I have searched by reaction ID first to subset to just a single reaction. If I then copy the product SMILES and try to search for it (exact, similar or subset) it returns no hits. This is probably something for a separate issue but noting it here for now.
Confirmed that all the dataset and reaction ids above are finding results when searched. Thanks @skearnes for fixing.
Issue closed!
While working on open-reaction-database/ord-data#183 I couldn't find ord_dataset-5540e162c09f4c04905ddc8ba9c931c6.pb.gz in the online reaction search interface.
The dataset_id can be found by the search bar in the Browse interface.
Clicking on the dataset link from within the dataset also fails to return the results.