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countSmarts

0.1

countSmarts

countSmarts counts the occurrences of SMARTS in a SMILES. Both the SMARTS and the SMILES have to be provided as tab separated files with SMARTS/SMILES in the first column and an optional name in the second column. The program also allows the removal of duplicate SMILES where duplicate means that the unique SMILES are identical.

© 2004 by Uli Fechner

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