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
Hello all,
I calculate a descriptor with RDKIT and in the manual in chapter 14, there are
a list of descriptor... It's writing Partial Charges...
But when I am looking my data I didn't fond.
I have this descriptor ( I remove the fragments descriptor)
Smiles,BalabanJ,BertzCT,Chi0,Chi0n,Chi0v,Chi
Hi Cedric,
On Wed, May 5, 2010 at 11:42 AM, Cedric MORETTI
wrote:
> Hello all,
>
> I calculate a descriptor with RDKIT and in the manual in chapter 14, there
> are a list of descriptor… It’s writing Partial Charges…
>
> But when I am looking my data I didn’t fond.
>
> I have this descriptor ( I r
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