From owner-chemistry@ccl.net Sun Feb 15 12:29:01 2009 From: "Alexander Kos software=akosgmbh.eu" To: CCL Subject: CCL: Chemical library analysis tool Message-Id: <-38619-090215112629-24162-tspRN1Lcnw1FePDdDEGiIw()server.ccl.net> X-Original-From: "Alexander Kos" Content-Language: de Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="iso-8859-1" Date: Sun, 15 Feb 2009 16:11:18 +0100 MIME-Version: 1.0 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=20 Fax (to mail):=A0=A0 +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. =20 -----Original Message----- > From: owner-chemistry+software=3D=3Dakosgmbh.eu^-^ccl.net [mailto:owner-chemistry+software=3D=3Dakosgmbh.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, >=20 > Can someone suggest me a chemical library analysis tool, which can = help in clustering/diversity analysis of chemical compounds in the database.=20 >=20 > Thanks > Sangeetha>=20 --=20 Igor Filippov [Contr] -=3D This is automatically added to each message by the mailing script = =3D-http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20Job: http://www.ccl.net/jobs=20Search Messages: http://www.ccl.net/htdig (login: ccl, Password: = search)http://www.ccl.net/spammers.txt