On 5/4/07, sushil ronghe <[EMAIL PROTECTED]> wrote:
Thorsten wants to cluster the molecule based on the substructure.
So he only want to calculate that if the given structure is having a query
substructure
or some substructure within the constraint.He is not interested in MCSS.
The first line of his mail mentions that he wanted to find MCSS's
I think the current way the UIT does it is efficient (generating the Rgraph
> etc)
Yes for our purpose it is doing efficient. What i want to ask is if any
body want's to get a
subgraph for a query which is not exact match with the target but has 70%
match or something (i am using this percentage just to make the discussion
easy this 70% will mean
if query has 6 bond (4 bond are matching and 2 are not) like wise.
If this is possible his problem is solved. what do you think?
Hmm, this type of fuzzy matching might be useful. I'm not sure whether it's
possible with the UIT as it currently stands.
--
Rajarshi Guha
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