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Example:
- https://api.datanator.info/metabolites/concentrations/similar_compounds/?inchikey=BJHIKXHVCXFQLS-UYFOZJQFSA-N&threshold=0.6&taxon_distance=false
- RNBGYGVWRKECFJ-ZXXMMSQZSA-N
- HMFHBZSHG…
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If I do a simple query q=siltuximab, I get 5 results, with these identifiers and keys:
```
57894-421 ['_id', '_score', 'ndc']
57894-420 ['_id', '_score', 'ndc']
CHEMBL1743070 ['_id', '_score', '…
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The updated spreadsheet is here.
https://docs.google.com/spreadsheets/d/168-a1_l51Nfbms67eG8zU8p-EhEtEO26FUzRInbu7fY/edit#gid=1048487387
There are a few changes to the spreadsheet.
There is a…
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"metabolite_quantified": should be the ChemicalEntity object
"$ref": "#/definitions/ChemicalEntity",
"MetaboliteQuantification": {:
"additionalProperties": false,
"descriptio…
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(CC @newgene @erikyao for pending BioThings, @rjawesome as the original person who worked on the parser https://github.com/biothings/pending.api/issues/70)
Andy Crouse from Translator's UI team poi…
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See also #4 for the long discussion on this topic.
I would prefer to use CHEBI:1234 ; simply because then people see where the identifier comes from with more ease. HMDB also includes their databas…
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(1) QC Priya's identifiers YAML (fix errors, adjust mappings, update search terms in all_features and add identifiers to identifiers file). (2) Add SeptRelayFix identifiers and fix spelling error (htt…
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1) Discuss diverse 1200 compound opts
2) Compare XTB coordinates vs b3lyp/tzvp with overlay (find xyz overlay RMS code)
3) Compare energies
4) check Inchikey and connection tables, report errors (…
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The training of a ms2deepscore model fails in an unexpected way if there are not enough spectra in the training_generator or validation_generator.
When the training_generator does not have enough …
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While puzzling through some problems with `cts_*()` functions (see #255, #243 ) I noticed that CTS has a REST API that is not currently implemented in the `cts_*()` functions.
https://cts.fiehnlab.uc…