On 5/4/07, sushil ronghe <[EMAIL PROTECTED]> wrote:
( But how can a molecule be converted to smarts,
with a best of my knowledge cdk don't have such converter.
so we can use smile for doing a substructure search.
at present the substrucutre search only take up smart this will not help
Why won't the SMATS parse a SMILES string? The SMILES tokens are all a
subset of SMATS so I'm not sure I see why that wouldn't work
--
Rajarshi Guha
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