Subject: Re: CCL:Graphs

From: Dave Winkler <[email-masked]>
Date: Wed, 27 May 1998 09:36:48 +0100 (BST)

There is the so-called BCUT (Burden, CAS, University of Texas) index
invented by Prof. Frank Burden at Monash University and championed by Bob
Pearlman and CAS.  This takes into account the nature of bonding between
atoms.  See F.R. Burden, Quant. Struct.-Act. Relat. 16, 309-14 (1997) and
F.R. Burden, J. Chem. Inf. Comput. Sci. 29, 225-7 (1994).

Cheers,

Dave

(Dr.) Dave Winkler
Visiting Fellow
Oxford Centre for Molecular Sciences
Oxford University

On Wed, 27 May 1998, Koklas Gerasimos wrote:

> Hi!
> Is there any topological index (like Randic,Balaban,...) that can
> include information about double bonds in the system?
> 
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