RE: the most common structure
I dont' have the answer, but I will ask a clarifying question that may help
others.
If you take the phrase "most common structure" literally, it means the
(sub)structure which is present in the greatest number of compounds in the
set. This would end up being individual atoms like C or H, if we don't make
any restrictions on what is a structure. But if there is a restriction, for
example that a "structure" must consist of at least 5 atoms, then this
would
be a meaningful question with a nontrivial answer.
However, the above interpretation relies on a fine point of English usage,
and I would not be surprised if the intended request is for the LARGEST
common structure, that is the largest substructure which is present in ALL
of the compounds of the set.
Note that "common" can mean either "occurring frequently" as
in the first
interpretation, or "occurring in all" as in the second.
I didn't mean to turn this into an English lesson, but I hope this ensures
that the right question is answered.
--David Shobe
S?-Chemie Inc.
phone (502) 634-7409
fax (502) 634-7724
email dshobe -AatT- sud-chemieinc.com
Don't bother flaming me: I'm behind a firewall.
-----Original Message-----
From: chem_liqiang -AatT- sohu.com [mailto:chem_liqiang -AatT- sohu.com]
Sent: Monday, July 08, 2002 10:38 AM
To: chemistry -AatT- ccl.net
Subject: CCL:the most common structure
Sir/Miss:
Good morning.
Who can tell me how to pick up the most common structure from a set
of compounds, and save it into a structure file? Could you indicate to me
further softwares able to perform the same task? I have SYBYL software, but
no DISTILL module.
Thank you very much!
Li Qiang
Shanghai Institute of Organic Chemistry
Chinese Academy of Sciences
No.354 Road FengLin
ShangHai, 200032, China
Phone: 08621-64163300-2735
Fax: 08621-64166128