CCL:Re: How to calculate the molecular similarity

[petitjean -8 at 8- itodys.jussieu.fr]

To: CCL <chemistry -8 at 8- ccl.net>
 Subject: CCL:Re: How to calculate the molecular similarity
 CSR, which is based on a geometric method, is downloadable from:
 http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html#CSR
 It performs a 3D alignment and extracts the common 3D motif.
 Michel Petitjean,                     Email: petitjean -8 at 8-
 itodys.jussieu.fr
 ITODYS (CNRS, UMR 7086)                      ptitjean -8 at 8- ccr.jussieu.fr
 1 rue Guy de la Brosse                Phone: +33 (0)1 44 27 48 57
 75005 Paris, France.                  FAX  : +33 (0)1 44 27 68 14
 http://petitjeanmichel.free.fr/itoweb.petitjean.html
 >Dear cclers,
 >
 >Can someone here like to recommend me some methods to
 >calculate the molecular quantum similarity, and to
 >give me some suggestions on the molecular alignment of
 >two or more molecules?
 >
 >Thank you very much in advance!
 >
 >Sincerely yours,
 >Jinsong Zhao