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329bf48b77c5918ba76719776523917df336334e
rdkit/Docs/Book/data
History
Greg Landrum 6ebc57b753 documentaiton update
2013-01-13 19:47:58 +00:00
..
5ht3ligs.sdf
The examples in the Open Office document are now run as tests.
2008-08-17 06:40:36 +00:00
actives_5ht3.sdf
The examples in the Open Office document are now run as tests.
2008-08-17 06:40:36 +00:00
actives_5ht3.sdf.gz
documentaiton update
2013-01-13 19:47:58 +00:00
AmideBond.rxn
The examples in the Open Office document are now run as tests.
2008-08-17 06:40:36 +00:00
bzr.sdf
The examples in the Open Office document are now run as tests.
2008-08-17 06:40:36 +00:00
bzr.smi
The examples in the Open Office document are now run as tests.
2008-08-17 06:40:36 +00:00
cdk2.sdf
documentaiton update
2013-01-13 19:47:58 +00:00
chiral.mol
The examples in the Open Office document are now run as tests.
2008-08-17 06:40:36 +00:00
input.mol
The examples in the Open Office document are now run as tests.
2008-08-17 06:40:36 +00:00
invalid.mol
The examples in the Open Office document are now run as tests.
2008-08-17 06:40:36 +00:00
MinimalFeatures.fdef
added
2010-04-07 19:54:57 +00:00
solubility.test.sdf
added
2011-06-09 12:06:16 +00:00
solubility.train.sdf
add sample data for ML
2011-05-13 02:41:58 +00:00
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