Re: [Joelib-help] Darstellung / Fehler in SMARTS-Matching (?)]

[Andreas M. <ma...@in...>]

Hi all,

----- Forwarded message from "Joerg K. Wegner" <we...@in...> -----
1. SMARTS matching
>http://www.informatik.uni-freiburg.de/~maunza/screenshot.jpeg 
>SMILES ist "OC1C(O)C(CO)OC1N2C=CC(=N)NC2=O"
>SMARTS ist "O=O=c:n:c:c:c:n-C-O-C-C-C-O"
You can at least formulate an aromatic tautomeric form, so i'm not sure, 
too. But it looks o.k. for me, other opinions from users ?
JOELib counts also electrons for SMARTS matching, see aromaticity typer 
and text definition aromatic.txt

having discussed this with my collegue it occurs to us as a misunderstanding:
We didn't want to argue if this were two aromatic rings or not, but merely if the
two marked *edges* are falsely marked, i.e. if it is incorrect to mark edges as 
match just because the neighbouring atoms match.

Greets,

Andi