CCL-Info needed- substructu
Mail*Link® SMTP CCL:Info needed: substructures search*
Hello everyone,
I am interested in knowing more about the choice of algorithms and
different approaches for efficient chemical substructure searching. Can
anyone on the list give me knowledgeable recommendations about:
(1) Key recent papers
(2) Published algorithms
(3) Code in the public domain or available as shareware
I will summarise the results for the list.
Thank you in advance,
Sincerely yours,
Toly
--
______________________________________________________________________
Anatoli O. Krassavine
kras ( ( at ) ) nmr1.ioc.ac.ru
-------This is added Automatically by the Software--------
-- Original Sender Envelope Address: toly ( ( at ) ) nmr1.ioc.ac.ru
-- Original Sender From: Address: toly ( ( at ) ) nmr1.ioc.ac.ru
CHEMISTRY ( ( at ) ) www.ccl.net: Everybody | CHEMISTRY-REQUEST ( ( at ) )
www.ccl.net: Coordinator
MAILSERV ( ( at ) ) 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
------------------ RFC822 Header Follows ------------------
Received: by amgen.com with ADMIN;3 Mar 1997 16:32:11 -0800
Received: from www-int.amgen.com by dorothy.amgen.com via ESMTP
(940816.SGI.8.6.9/921111.SGI)
id QAA04460; Mon, 3 Mar 1997 16:01:44 -0800
Received: from castle-smtp.amgen.com (castle-smtp [138.133.19.51])
by www-int.amgen.com (8.8.5/8.8.5) with SMTP id QAA09992;
Mon, 3 Mar 1997 16:01:43 -0800 (PST)
Received: by castle-smtp.amgen.com; id QAA21963; Mon, 3 Mar 1997 16:01:42 -0800
Received: from www.ccl.net(128.146.36.5) by castle-smtp.amgen.com via smap
(V3.1)
id xma021955; Mon, 3 Mar 97 16:01:04 -0800
Received: for chemistry-request ( ( at ) ) www.ccl.net
by www.ccl.net (8.8.3/950822.1) id SAA22711; Mon, 3 Mar 1997 18:36:53 -0500
(EST)
X-Authentication-Warning: www.ccl.net: mail set sender to chemistry-request ( (
at ) ) www.ccl.net using -f
Received: from holly.chem.niu.edu for toly ( ( at ) ) nmr1.ioc.ac.ru
by www.ccl.net (8.8.3/950822.1) id SAA22541; Mon, 3 Mar 1997 18:02:19 -0500
(EST)
Received: from holly.chem.niu.edu (localhost [127.0.0.1]) by holly.chem.niu.edu
(950413.SGI.8.6.12/950213.SGI.AUTOCF) via SMTP id RAA20447 for <CHEMISTRY ( (
at ) ) www.ccl.net>; Mon, 3 Mar 1997 17:00:13 -0600
X-Original-Sender: toly ( ( at ) ) nmr1.ioc.ac.ru
Sender: Computational Chemistry List <chemistry-request ( ( at ) )
infomeister.osc.edu>
Message-ID: <331B57ED.41C6 ( ( at ) ) nmr1.ioc.ac.ru>
Date: Mon, 03 Mar 1997 16:59:57 -0600
From: Anatoli Krassavine <toly ( ( at ) ) nmr1.ioc.ac.ru>
X-Mailer: Mozilla 3.0 (X11; I; IRIX 6.3 IP32)
To: CHEMISTRY ( ( at ) ) www.ccl.net
Subject: CCL:Info needed: substructures search algorithms/approaches
Errors-To: ccl ( ( at ) ) www.ccl.net
Precedence: bulk