CCL: Tool or Software Module to retrieve unique molecules

[andras.borosy-$-givaudan.com]

Dear Manoj,
 
 
 MOE  from
 CCG (http://www.chemcomp.com/)
 does have it.
 
 
Regards,
 
 
Dr. András Péter Borosy
 Scientific Modelling Expert
 
 Fragrance Research
 Givaudan Schweiz AG  -  Ueberlandstrasse 138  -  CH-8600
  -  Dübendorf  -  Switzerland
 T:+41-44-824 2164  -  F:+41-44-8242926    -
  http://www.givaudan.com

"manoj kumar manojrudraraju*gmail.com" <owner-chemistry+*+ccl.net>
Sent by: owner-chemistry+andras.borosy==givaudan.com+*+ccl.net

02.12.2009 05:45

Please respond to
"CCL Subscribers" <chemistry+*+ccl.net>

To	"Borosy, Andras " <andras.borosy+*+givaudan.com>
cc
Subject	CCL: Tool or Software Module to retrieve unique molecules

Hi All,
 
 
 
Does anyone aware or has developed any tool to retrieve
 Unique molecules from a large compound databases.
 
 
 
if not what would be the challenges ahead to develop such 
 script, I wish to know the math behind such operation and want to develop
 in python.
 
 
 
Thanks for read and time,
 
 
 
regards
 
Manoj