CCL: Chemical library analysis tool
- From: "Alexander Kos" <software---akosgmbh.eu>
- Subject: CCL: Chemical library analysis tool
- Date: Sun, 15 Feb 2009 16:11:18 +0100
Sent to CCL by: "Alexander Kos" [software:-:akosgmbh.eu]
Pipeline Pilot is a great product, but for some people not affordable. A
cheaper option is KNIME and Cheshire from Symyx. Cheshire is a low cost
product that must be installed for several of the better chemoinformatics
applications. On www.symyx.com you will find some nodes that might be
helpful.
A more or less automated lead finding application that works by clustering
compounds of similar biological activity, but not necessarily similar by
structure. Please have a look at wwww.akosgmbh.de/cwm and follow the links
to CWM Lead Finder.
With best regards,
Alex
AKos Consulting & Solutions Deutschland GmbH
(AKos GmbH)
Dr. Alexander Kos
Austr. 26
D-79585 Steinen
Germany
Phone: +49 7627 970068
Fax: +49 7627 970067
Fax (to mail): +49 1805 744743 8318
Mobile +49 171 526 9392
E-mail: software^-^akosgmbh.eu
Homepage: www.akosgmbh.de
Registered at Amtsgericht Freiburg HRB 700872, Ust-ID DE253131617, General
Manager: Greta Auf der Maur, Alexander Kos
Authorized agent for Symyx Technologies, Inc. (www.symyx.com), DIMENSION 5,
Ltd. (www.miner3d.com), CompuDrug International (www.compudrug.com),
Molecular Networks GmbH (www.mol-net.de), and others.
-----Original Message-----
> From: owner-chemistry+software==akosgmbh.eu^-^ccl.net
[mailto:owner-chemistry+software==akosgmbh.eu^-^ccl.net] On Behalf Of Igor
Filippov Contr igorf#%#helix.nih.gov
Sent: Freitag, 13. Februar 2009 14:55
To: Kos, Alexander J.
Subject: CCL: Chemical library analysis tool
Sent to CCL by: "Igor Filippov [Contr]" [igorf-.-helix.nih.gov]
Pipeline Pilot
http://accelrys.com/products/scitegic/
Cheers,
Igor
On Fri, 2009-02-13 at 06:25 -0500, Sangeetha Vimal
srdshigella-x-gmail.com wrote:
> Sent to CCL by: "Sangeetha Vimal" [srdshigella,gmail.com]
> Hi all,
>
> Can someone suggest me a chemical library analysis tool, which can help in
clustering/diversity analysis of chemical compounds in the database.
>
> Thanks
> Sangeetha>
--
Igor Filippov [Contr] <igorf^-^helix.nih.gov>
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