Files
rdkit/Code/PgSQL/rdkit/data
Schneider 5f9a241b8b PGSQL cartridge: Add new reaction functionalities to cartridge
- Supports reaction type
- Input reaction as SMILES, SMARTS or ctab
- Supports GiST-index substucture/superstructure scans
- Supports reaction fingerprints
2014-08-19 13:13:57 +02:00
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2010-07-02 06:57:26 +00:00