On Dec 16, 2009, at 8:39 PM, Craig A. James wrote:
> "All possible SMILES strings" is a virtually uncountable number for any
> moderately large molecule, so nobody has ever generated an algorithm for that
> (that I know of). It would only work for fairly small fragments, one or two
> rings, or fragments with low branching.
The algorithm's easy. Waiting for completion, now that's the tricky (or boring)
part!
:)
Andrew
[email protected]
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