[Joelib-devel] smarts

[naji h. <sun...@or...>]

HI all,

By using Smarts patterns I  don't manage to differ some molecu=
lar fragments (see below).
It's a problem because each group has a  diff=
erent contribution in order to calculate a property.

For example: I do=
n't know how I could make (with Smarts patterns) to differ those groups.=0D
=
>C=3D (participating in two fused benzene rings)
>C=3D (participating in=
 two fused non-benzene rings)
>C=3D (participating in two fused  rings: =
one benzene ring and one non-benzene ring)
-CH=3D( participating in a be=
nzene ring)
>C=3D (the formal double bond and a formal single bond parti=
cipating in a benzene ring)
>C=3D (two single bonds participating in a n=
on- benzene ring)
-CH=3D( participating in a non- benzene ring)
>C=3D (=
the formal double bond and a formal single bond participating in a non-be=
nzene ring)
=3DN- (participating in a ring )
>NH(participating in a rin=
g )
-N< (participating in a ring )
-N< (participating in two fused ring=
s )

Any suggestions?

Thanks

Naji