SUMMARY:CoMSIA

Hello, everyone.
 I posted the following answer about CoMSIA a few days ago.
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 Dear CCLers
         Does anybody tell me about CoMSIA(Comparative Molecular
 Similarity Indexes Analysis)? Any details of this method or references
 will be great help to me. I will summerize later.
         Thank you in advance.
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 Below is the greatly helpful reply from Dr. Wolfgang Utz.
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  Hello Kim,
 for references look at:
 Klebe, G., et al., J. Med. Chem., 37, 4130-4146 (1994)
 Klebe , G. Comparative Molecular Similarity indices: CoMSIA, in "3D QSAR in
 Drug Design", H. Kubinyi et al. (eds.), Kluwer, Academic Publishers, Great
 Britain, 1998, Vol. 3, pages 87-104
 ComSIAs strategy is comparable to standard CoMFA. There are at least 2  main
 differences: the interaction with a lattice surrounding the aligned
 molecules
 does not have cutoffs, a gaussian curve is used instead of the  Lennard-Jones
 potential; second, the lattice is used to elucidate similarity  between the
 molecules, not just giving descriptors for each one molecule.
 Please look at the references for more information.
 Hope this helps
 Wolfgang
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 I found that many references describing the CoMSIA methods and applications
 were available. CA or SCI search of CoMSIA will give many hits.
 I heard that the latest version of Sybyl program from Tripos is
 implemented with CoMSIA. (Indeed, I don't know any other program that
 uses CoMSIA.)
 Thank all repliers, especially Wolfgang.
 Hope this help
 Cheers,
 Kim Hanjo
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            |               ****  Kim Hanjo  ****               |
            | Medicinal & Bioorganic Chemistry Laboratory       |
            | Dept. of Chemistry, Yonsei Univ., Seoul, Korea    |
            | email : lordmiss : at : alchemy.yonsei.ac.kr             |
            | pager : 015-8411-6834                             |
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