Thanks Greg,
The final strange behaviour I've noticed that could trip fellow users up is
with matching kekule verses aromatic representations of the same molecule
in SMARTS against SMILES. Most surprisingly C1=CC=CC=C1 is not a
substructure of itself but has c1c1 as a substructure (if the
Hi Toby,
On Fri, Mar 7, 2014 at 11:57 AM, Toby Wright toby.wri...@inhibox.comwrote:
Thanks Greg,
The final strange behaviour I've noticed that could trip fellow users up
is with matching kekule verses aromatic representations of the same
molecule in SMARTS against SMILES. Most surprisingly
Hi Greg,
Thanks a lot for the explanation.
It makes things clearer now.
Well the reason I'm doing SMARTS-SMARTS match is because I would like to
match functional groups with the reactants in reactions.
Regards,
Christos
Christos Kannas
Researcher
Ph.D Student
Mob (UK): +44 (0) 7447700937
Mob
Hi,
This is probably related to the above so I thought I'd post it on this
thread. I am noticing inconsistent behaviour when a molecule created via
SMARTS that contains an 'or' statement has HasSubstructMatch called on it,
as opposed to it being the argument to HasSubstructMatch. A simple example
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