CCL: Chemical library analysis tool

[Michel Petitjean <petitjean.chiral#,#gmail.com>]

 Sent to CCL by: Michel Petitjean [petitjean.chiral{}gmail.com]
 Hi Sangeetha,
 You did not specify if you need to address 2D or 3D libraries.
 Anyway, please look at the MCG freeware on my web page:
 http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html
 MCG produce clusters on the basis of a dissimilarity array (or from
 numerical variables):
 you just have to generate these dissimilarities or distances (non
 necessarily euclidean)
 between compounds, so that it reflects what you need.
 The algorithm is O(N^3), N being the number of compounds.
 Best regards,
 Michel Petitjean,
 DSV/iBiTec-S/SB2SM (CNRS URA 2096), CEA Saclay, bat. 528,
 91191 Gif-sur-Yvette Cedex, France.
 Phone: +331 6908 4006 / Fax: +331 6908 4007
 E-mail: michel.petitjean*o*cea.fr, petitjean.chiral*o*gmail.com
 http://petitjeanmichel.free.fr/itoweb.petitjean.shape.html
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 Sent to CCL by: "Sangeetha  Vimal" [srdshigella,gmail.com]
 Hi all,
 Can someone suggest me a chemical library analysis tool, which can
 help in clustering/diversity analysis of chemical compounds in the
 database.
 Thanks
 Sangeetha