Subject: CCL: Announcing CAESA (Computer Assisted Estimation of Synthetic Accessibility)

From: Aniko Simon <aniko{at}simbiosys.ca>
Date: Tue, 8 Jul 2003 03:11:55 -0400

SimBioSys is pleased to announce the release of CAESA v2.4 

CAESA stands for Computer Assisted Estimation of Synthetic Accessibility 
and it is a tool used to rank sets of molecules according to their ease 
of synthesis.  This is especially helpful when used in conjunction with 
de novo design software.

CAESA also assists the development of viable synthetic approaches by 
identifying suitable, readily available starting materials and 
retrosynthetic paths.  

CAESA uses the technology of expert systems to propose viable synthetic 
accessibility estimates and retrosynthetic routes.  The program uses two 
sources of information that can be customized to provide estimations 
specific to the chemistry employed in the company: 
(1) a database of available starting materials and 
(2) a reaction knowledge-base.

The presence of complexity-enhancing structural features (such as chiral 
centres or complex topological features) is detected in each target molecule. 
These features are used to assess the ease of synthesis of a compound. 

Conveniently, the client side of CAESA can be used via a web-browser on any 
operating system. The server side of the system can be installed either on 
Linux or SGI platform.
 
For further information about CAESA, please visit our web site at 
http://www.simbiosys.ca/  or contact us at info{at}simbiosys.ca
--
Aniko Simon Ph.D., aniko{at}simbiosys.ca, http://www.simbiosys.ca/