Tks you greg
I find a paper in the web...
Cedric

-----Original Message-----
From: Greg Landrum [mailto:greg.land...@gmail.com] 
Sent: mardi, 4. mai 2010 20:27
To: Cedric MORETTI
Cc: rdkit-discuss@lists.sourceforge.net
Subject: Re: [Rdkit-discuss] maccs keys

Dear Cedric,

On Tue, May 4, 2010 at 5:20 PM, Cedric MORETTI
<cedric.more...@firmenich.com> wrote:
> Hi
> Tks you for this links but this website present just 4 questions, and I 
> searched the list with the 166 questions.
>

unfortunately this information isn't exactly easy to come by. There's
a paper from MDL that describes a *reoptimization* of the keys:
1. Durant, J.L., Leland, B.A., Henry, D.R. & Nourse, J.G.
Reoptimization of MDL Keys for Use in Drug Discovery. Journal of
Chemical Information and Computer Sciences 42, 1273-1280 (2002).

and I have a distinct memory of another, more recent, MDL paper on
this topic, but I can't find it.

I'm not sure that the 166 "public" keys were ever really published in
the open literature. I think many people just derived their
definitions from the data that one could find in the help from
Isis/Base.

Best Regards,
-greg
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