From:	Dave Winkler <winkler ( ( at ) ) bellatrix.pcl.ox.ac.uk>
Date:	Wed, 27 May 1998 09:36:48 +0100 (BST)
Subject:	Re: CCL:Graphs

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?
>
> --
> jonarg ( ( at ) ) patra.netor.gr
>
>
>
> -------This is added Automatically by the Software--------
> -- Original Sender Envelope Address: jonarg : at : patra.hellasnet.gr
> -- Original Sender From: Address: jonarg ^at^ patra.hellasnet.gr
> CHEMISTRY()at()www.ccl.net: Everybody | CHEMISTRY-REQUEST()at()www.ccl.net:
Coordinator
> MAILSERV-0at0-www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net
73
> Anon. ftp: www.ccl.net   | CHEMISTRY-SEARCH : at : www.ccl.net -- archive
search
>              Web: http://www.ccl.net/chemistry.html
>




Similar Messages
01/22/1999:  RV: CCL:CCL:Q:Accessible surface of Metal atom
01/22/1999:  RV: CCL:CCL:Q:Accessible surface of Metal atom
02/26/1999:  Re: CCL:Biological relevance of aluminium
03/21/1996:  CCL:Pronunciation of "Conformer"
02/25/1999:  Re: CCL:Biological relevance of aluminium
01/21/1999:  Re: CCL:CCL:Q:Accessible surface of Metal atom
11/18/1995:  Re: CCL:M:sparkles atoms in Mopac
08/14/1995:  Re: CCL:CCL changes address
01/11/1999:  Re: CCL:O2 problems...please help
12/10/1995:  Re: CCL:MATRIX ALGEBRA PROGRAM


Raw Message Text