Subject: CCL: MonteCarlo search

From: "lo presti eleonora" <[email-masked]>
Date: Thu, 15 Jul 1999 09:35:50 -0600

Dear  CCLers,
I am working with a set of flexible molecules containing  a ciclopentyloxy
residue and I am  getting thousands of conformers from MonteCarlo search.
By cluster analysis these conformers  are grouped in two or three big families
 instead of being uniformely grouped. Is this something that could happen with
very flexible molecules?
Shall I take into consideration only the lead of the most populated groups or
all conformers selected by cluster analysis?

Thank you very much for your answers,

-- 

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Dr. Eleonora Lo Presti
PhD-Student
Dip. Scienze Farmaceutiche - Facolta' di Farmacia
Universita' di Genova - Viale Benedetto XV, 3 - 16145 Genova Italy
[email-masked]
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