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

..

avalon.sql

initial pass at adding avalon fps to cartridge. needs more testing

2014-08-16 06:31:01 +02:00

bfpgist-91.sql

add tests for indexing on maccs

2014-05-09 18:17:27 +02:00

bfpgist-pre91.sql

add support for pre v9.1 versions of postgres back into the cartridge

2013-01-14 11:31:31 +00:00

btree.sql

fix problem in the new is_smiles_valid()

2010-12-11 16:13:27 +00:00

fpgist.sql

initial import

2010-07-02 06:57:26 +00:00

fps.sql

Fixes: #259

2014-05-09 12:39:21 +02:00

inchi.sql

add inchi support to cartridge

2011-07-02 05:29:43 +00:00

molgist.sql

update makefile;

2010-07-17 05:39:43 +00:00

props.sql

rename fmla->formula

2014-03-12 05:37:04 +01:00

rdkit-91.sql

add tests for indexing on maccs

2014-05-09 18:17:27 +02:00

rdkit-pre91.sql

cartridge changes:

2013-04-01 05:00:38 +00:00

reaction.sql

PGSQL cartridge: Add new reaction functionalities to cartridge

2014-08-19 13:13:57 +02:00

sfpgist.sql

initial import

2010-07-02 06:57:26 +00:00

slfpgist.sql

initial import

2010-07-02 06:57:26 +00:00