Thanks Greg.
It took me a while to understand what you wrote. I'm so SMARTS oriented that I
was thinking that if the user draws a carbon (yielding the SMILES of "C") then
it would not match against a "c" in the target.
Your point, I believe, is that a sketched carbon should match aliphatic or
aromatic, while a sketched aromatic carbon should only match an aromatic carbon.
Are the semantics of a SMILES-based Molecule to SMILES-based Molecule described
somewhere?
For that matter, I looked but couldn't find a detailed description of what
"sanitize" does. I know we've talked about it, and I know some of what it does,
but written information would be better.
Cheers,
Andrew
da...@dalkescientific.com
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