Subject: CCL:fingerprint generation software

From: Andreas Bender <ab454~at~cam.ac.uk>
Date: 16 Apr 2005 12:48:33 +0100

Dear Lei,

> I want to generate finger-prints for my chemical database.  and 
> want to use such info to do sub-structure or similarity search.
> What software could I use?

Encouraged by your e-mail I just made my similarity searching tool, 
MOLPRINT 2D(*), freely available for download and local installation: 
Please visit http://www.molprint.com to access the program. You are 
asked to provide an e-mail address so I can inform you of new program 
versions etc., but if you're "afraid" of those e-mails there's no 
requirement for registration.

The program uses fragment-based features; further details can be 
found in the downloadable package which includes all necessary 
programs (for Intel Linux and IRIX) and scripts as well as a manual 
with a walked-through sample similarity searching run. Please feel 
free to contact me in case of any questions.

Best wishes for your work, 
Andreas

(*)
Bender, A., et al. J. Chem Inf. Comput. Sci 2004, 44, 170 - 178.
Bender, A., et al. J. Chem Inf. Comput. Sci 2004, 44, 1708 - 1718.

-- 
Andreas Kieron Patrick Bender http://www.andreasbender.de