Commit Graph

3 Commits

Author SHA1 Message Date
Greg Landrum
49f55e76ed add test for the issue 2015-06-23 07:01:16 +02:00
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
Greg Landrum
02210fa715 initial import 2010-07-02 06:57:26 +00:00