ultimate-api
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
ultimate-api [2020/12/07 14:54] – flack | ultimate-api [2021/05/25 14:21] – flack | ||
---|---|---|---|
Line 316: | Line 316: | ||
" | " | ||
} | } | ||
+ | </ | ||
+ | |||
+ | |||
+ | ====== Compounds API ====== | ||
+ | |||
+ | ===== Compound details ===== | ||
+ | |||
+ | For example for the compound identified by the InChIKey **PKGBDLPHSYFAFJ-UHFFFAOYSA-N** you can get the detail response the following way: | ||
+ | |||
+ | == Example API request: == | ||
+ | < | ||
+ | |||
+ | == Request: == | ||
+ | < | ||
+ | GET / | ||
+ | </ | ||
+ | |||
+ | == Response: == | ||
+ | < | ||
+ | HTTP/1.1 200 OK Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | " | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | ===== Compounds export ===== | ||
+ | |||
+ | If you have a set of identifiers you can export the corresponding compounds into SMILES or SDF files. | ||
+ | |||
+ | ==== SDF file ==== | ||
+ | |||
+ | < | ||
+ | echo ' | ||
+ | </ | ||
+ | |||
+ | == Request: == | ||
+ | < | ||
+ | POST / | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | ], | ||
+ | " | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | |||
+ | == Response: == | ||
+ | < | ||
+ | HTTP/1.1 200 OK | ||
+ | Content-Type: | ||
+ | Content-Disposition: | ||
+ | </ | ||
+ | |||
+ | |||
+ | |||
+ | ==== SMILES file ==== | ||
+ | |||
+ | < | ||
+ | echo ' | ||
+ | </ | ||
+ | |||
+ | == Request: == | ||
+ | < | ||
+ | POST / | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | ], | ||
+ | " | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | |||
+ | == Response: == | ||
+ | < | ||
+ | HTTP/1.1 200 OK | ||
+ | Content-Type: | ||
+ | Content-Disposition: | ||
</ | </ | ||
ultimate-api.txt · Last modified: 2021/05/25 14:27 by flack