Re: QSAR - coordinates&pharmacophore

I think using the Maximum Common Substructure
algorithm this can be accomplished. The MCS algorithm
is freeely available as C++ code. Only thing will be
that the distance matrix and the node type lists which
are input to this algorithm, has to be fine tuned
according to your requirements.

Sincerely
Suman Chakravarti
Case Western Reserve University
Cleveland, OH, USA

--- Christoph Globisch <cglobisc[A]uni-bonn.de> wrote:

> NB: Unless you reset the To: line, your reply goes
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>
> Hi, everybody!!
> We are looking for a free program that finds
> correspondence between atom
> coordinates and pharmacophore points.
> We will be greatfull for sending any hints.
>
> Christoph
>
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Received on 2004-10-21 - 12:50 GMT