User Tools

Site Tools


ultimate-api

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
ultimate-api [2021/05/25 14:21] flackultimate-api [2021/05/25 14:27] (current) – [Compounds export] flack
Line 382: Line 382:
 If you have a set of identifiers you can export the corresponding compounds into SMILES or SDF files. If you have a set of identifiers you can export the corresponding compounds into SMILES or SDF files.
  
-==== SDF file: ====+The HTTP response contains a //Content-Disposition attachment; filename="<filename>"// header indicating that it should be downloaded.
  
 +The maximum number of compounds you can export with a single API call is 1000.
 +
 +Invalid identifiers will be excluded from the response.
 +
 +==== SDF file ====
 +
 +== Example API request: ==
 <code> <code>
 echo '{"export_type": "sdf", "compounds": ["YTIUNGFRKPDPPS-UHFFFAOYSA-N", "SSEIGWFVYLDHEH-UHFFFAOYSA-N"]}' | http https://ultimateapp.mcule.com/api/v1/compounds/export/ --print HBhb echo '{"export_type": "sdf", "compounds": ["YTIUNGFRKPDPPS-UHFFFAOYSA-N", "SSEIGWFVYLDHEH-UHFFFAOYSA-N"]}' | http https://ultimateapp.mcule.com/api/v1/compounds/export/ --print HBhb
Line 412: Line 419:
  
  
-==== SMILES file====+==== SMILES file ====
  
 +== Example API request: ==
 <code> <code>
 echo '{"export_type": "smi", "compounds": ["YTIUNGFRKPDPPS-UHFFFAOYSA-N", "SSEIGWFVYLDHEH-UHFFFAOYSA-N"]}' | http https://ultimateapp.mcule.com/api/v1/compounds/export/ --print HBhb echo '{"export_type": "smi", "compounds": ["YTIUNGFRKPDPPS-UHFFFAOYSA-N", "SSEIGWFVYLDHEH-UHFFFAOYSA-N"]}' | http https://ultimateapp.mcule.com/api/v1/compounds/export/ --print HBhb
ultimate-api.1621952490.txt.gz · Last modified: 2021/05/25 14:21 by flack