V2 API Changes
The API changes are summarized in the following table (in order of appearance in V1 API doc).
| V1 API | V2 status | V2 API (if applicable) | comment |
|---|---|---|---|
| /api/buyables/ | maintained | /api/buyables/list-buyables/ | |
| /api/buyables/lookup/ | maintained | /api/buyables/lookup | |
| /api/buyables/properties/ | maintained | /api/buyables/properties | |
| /api/buyables/search/ | maintained | /api/buyables/search | |
| /api/buyables/sources/ | maintained | /api/buyables/sources | |
| /api/buyables/upload/ | maintained | /api/buyables/upload | |
| /api/historian/ | maintained | /api/historian/search | |
| /api/historian/lookup/ | maintained | /api/historian/lookup-smiles | |
| /api/historian/template_sets/ | maintained | /api/historian/list-template-sets | |
| /api/rdkit/smiles/canonicalize/ | maintained | /api/rdkit/canonicalize | |
| /api/rdkit/smiles/from_molfile/ | maintained | /api/rdkit/from-molfile | |
| /api/rdkit/smiles/to_molfile/ | maintained | /api/rdkit/to-molfile | |
| /api/rdkit/smiles/validate/ | maintained | /api/rdkit/validate | |
| /api/template/ | maintained | /api/template/retrieve | |
| /api/template/lookup/ | maintained | /api/template/lookup | |
| /api/template/sets/ | maintained | /api/template/sets | |
| /api/results/* | refactored | /api/results/* | functionally the same, but not backward compatible since results are now stored solely in Mongo |
| /api/celery/task/ | maintained | /api/legacy/celery/task/ | |
| /api/banlist/chemicals/* | refactored | /api/banlist/chemicals/* | functionally the same, but not backward compatible since banlists are now stored solely in Mongo |
| /api/banlist/reactions/* | refactored | /api/banlist/reactions/* | functionally the same, but not backward compatible since banlists are now stored solely in Mongo |
| /api/selectivity/refs/ | maintained | /api/selectivity/refs/ | |
| /api/apply-one-template/ | deprecated | was used solely as part of IPP; not relavant anymore with the refactor | |
| /api/atom-mapper/ | refactored | /api/atom-map/controller/ | reworked; the new atom map controller is more powerful and more consistent, taking in a list of reaction SMILES |
| /api/celery/ | deprecated | was a duplicate of /status/celery/ even in V1, for backward compatibility with some ancient version | |
| /api/cluster/ | maintained | /api/legacy/cluster/ | |
| /api/context/ | maintained | /api/legacy/context/ | |
| /api/context-v2/ | maintained | /api/legacy/context-v2/ | |
| /api/draw/ | maintained | /api/draw/ | |
| /api/evaluation/ | maintained | /api/legacy/evaluation/ | |
| /api/fast-filter/ | maintained | /api/legacy/fast-filter/ | |
| /api/forward/ | maintained | /api/legacy/forward/ | |
| /api/optimization/ | disabled | rework under way; existing version in V1 takes way too long (tens of minutes) | |
| /api/path-ranking/ | maintained | /api/legacy/pathway-ranker | |
| /api/reactions/ | maintained | /api/reactions/post | |
| /api/retro/ | refactored | /api/tree-search/expand-one/ | functionally similar, but implementation fully reworked |
| /api/retro/models/ | deprecated | was tied to the template relevance model; now part of the module config | |
| /api/scscore/ | maintained | /api/legacy/scscore/ | |
| /api/scscore/batch | maintained | /api/legacy/scscore/batch | |
| /api/selectivity/ | maintained | /api/legacy/selectivity/ | |
| /api/solubility/ | maintained | /api/legacy/solubility/ | |
| /api/solubility/batch | maintained | /api/legacy/solubility/batch | |
| /api/status/celery/ | maintained | /api/status/celery/get | |
| /api/status/database/ | maintained | /api/status/database/get | |
| /api/status/ml/ | refactored | /api/admin/get-backend-status | functionally the same, but containing different info per module |
| /api/general-selectivity/ | maintained | /api/legacy/general-selectivity/ | |
| /api/template-relevance/ | refactored | /api/retro/template-relevance/ | functionally similar, but implementation fully reworked |
| /api/tree-analysis/ | maintained | /api/tree-analysis/controller/ | |
| /api/tree-builder/ | refactored | /api/tree-search/mcts/ | functionally similar, but implementation fully reworked |
| /api/descriptors/ | maintained | /api/legacy/descriptors/ | |
| /api/reaction-classification/ | maintained | /api/legacy/reaction-classification/ | |
| /api/token-auth/ | deprecated | authentication fully reworked | |
| /api/token-refresh/ | deprecated | authentication fully reworked |