octobre 2016 06:00
À : Guillaume GODIN;
rdkit-discuss@lists.sourceforge.net<mailto:rdkit-discuss@lists.sourceforge.net>
Objet : Re: [Rdkit-discuss] where to find I-State of atoms
Guillaume,
I've been using this chapter from the Handbook of Chemoinformatics for the 3D
descriptors:
http://michem.
ovation
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> De : Greg Landrum
> Envoyé : samedi 15 octobre 2016 06:00
>
EVE 8
>
> --
> *De :* Greg Landrum
> *Envoyé :* samedi 15 octobre 2016 06:00
> *À :* Guillaume GODIN; rdkit-discuss@lists.sourceforge.net
> *Objet :* Re: [Rdkit-discuss] where to find I-State of atoms
>
> Guillaume,
>
> I've bee
De : Greg Landrum
Envoyé : samedi 15 octobre 2016 06:00
À : Guillaume GODIN; rdkit-discuss@lists.sourceforge.net
Objet : Re: [Rdkit-discuss] where to find I-State of atoms
Guillaume,
I've been using this chapter from the Handbook of Chemoinformatics for the 3D
descriptors:
http://michem.d
Guillaume,
I've been using this chapter from the Handbook of Chemoinformatics for the
3D descriptors:
http://michem.disat.unimib.it/chm/download/materiale/geometrical_descriptors.pdf
Section 2.6 has a discussion of the MoRSE descriptor, along with a
definition of the I values.
Is there sufficien
This book >>> http://onlinelibrary.wiley.com/book/10.1002/9783527613106 <<<
that look like a bible.
Best regards,
GMR
> On 14 Oct 2016, at 19:28, Guillaume GODIN
> wrote:
>
> Dear All,
>
> I'm looking for the definition & values of the atomic "I-State" used in
> Dragon for RDF, MORSE
?Dear All,
I'm looking for the definition & values of the atomic "I-State" used in Dragon
for RDF, MORSE descriptors.
Do you have a source for those physical descriptors ?
best regards,
Dr. Guillaume GODIN
Principal Scientist
Chemoinformatic & Datamining
Innovation
CORPORATE R&D DIVISION
DI
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