CCL: free descriptors software program
- From: "Aniko Simon" <aniko!=!simbiosys.ca>
- Subject: CCL: free descriptors software program
- 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
>