Subject: CCL: Re: Docking software vithout validation

From: Konstantin Kudin <konstantin_kudin!at!yahoo.com>
Date: Mon, 1 Mar 2004 14:35:20 -0800 (PST)

>As flexible docking getting to be an accepted tool in
virtual screening,
>it is nice to see the growing number of such software
available on the
>market. My only problem is that most of them in the
last months comes
>without any validation data stating simply that "we
are the champions".
>It is just like walking in from the street and trying
to sell something
>without scientific background.

 Well, it ain't that bad :-) Since it did not seem
like the "we are the champions" approach flew very
well with many scientific customers, most sales
pitches recently sounded more neutral, something like
"here is another tool, try it and tell us what you
think".

>Probably it works for double glazing but
>I am pretty sure companies spent months with
validation so I would
>encourage them to publish their comparison data. It
is true not only for docking of course. 
  
 Extensive and proper validation can be way more
expensive in terms of labor than the actual
development of the new tool. Thus it is understandable
why such work is being delegated to the customers
themselves. Thus don't hold your breath :-)

 Konstantin 

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