RDKit Code

Open-Source Cheminformatics and Machine Learning

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File	Date	Author	Commit
DTDs	2006-05-06	glandrum	[r1] initial import
NCI	2011-09-30	glandrum	[r1834] fix and test issue 3415534
SmartsLib	2009-02-28	glandrum	[r998] merge changes from revs991:996 on Ullmann_9Feb2...
struchk	2011-12-23	glandrum	[r1897] initial addition of avalontoolkit support
BaseFeatures.fdef	2008-05-14	glandrum	[r662] er, forgot to save the documentation first
Crippen.txt	2012-09-26	glandrum	[r2210] more issue252: sync the parameter text file wit...
FragmentDescriptors.csv	2011-09-04	glandrum	[r1830] update copyright/license information
FunctionalGroups.txt	2011-09-04	glandrum	[r1830] update copyright/license information
Functional_Group_Hierarchy.txt	2011-01-10	glandrum	[r1616] robustify functional group handling
RDData.sqlt	2010-09-16	glandrum	[r1517] forgot to add these before
RDTests.sqlt	2010-09-16	glandrum	[r1517] forgot to add these before
Salts.txt	2010-12-15	glandrum	[r1578] add salt remover and functional gropu hierarchy
rddata.sql	2006-05-06	glandrum	[r1] initial import