From owner-chemistry@ccl.net Fri Aug  3 10:55:00 2007
From: "Aniko Simon aniko#,#simbiosys.ca" <owner-chemistry-x-server.ccl.net>
To: CCL
Subject: CCL: free descriptors software program
Message-Id: <-34867-070803095045-10592-V9W5HHUpjRc0RBUzd8pU/A-x-server.ccl.net>
X-Original-From: "Aniko  Simon" <aniko!=!simbiosys.ca>
Date: Fri, 3 Aug 2007 09:50:41 -0400


Sent to CCL by: "Aniko  Simon" [aniko : simbiosys.ca]
Hi Ilknur,

You could try LASSO, a new 2.5 D QSAR descriptor, free for academic use.
http://www.simbiosys.ca/ehits_lasso/index.html
LASSO is based on our novel Interacting Surface Point Type (ISPT) descriptor  and is independent of the underlying scaffold.  Similarity is measured based on the surface properties of potential ligands, disregarding the 2D topology and the conformation of the ligands.  This "fuzzyness" makes the descriptor suitable for scaffold hopping applications.

If interested please submit a demo request.

Regards,
Aniko

--
Aniko Simon, Ph.D.
SimBioSys Inc.
http://www.simbiosys.ca/
Tel: 1-416-741-4263


On Thursday 02 August 2007 09:32, ilknur cavusoglu ilknurcakou.edu.tr wrote:
> Sent to CCL by: "ilknur  cavusoglu" [ilknurca::kou.edu.tr]
>
> Hi everybody,
> Do you know any free programs that calculate molecular descriptors?
> Thanks for attention...
> Ilknur cavusoglu
> ilknurca{}kou.edu.tr
>