Re: [Rdkit-discuss] Scaffold Tree implementation

[Francois Berenger]

On 14/02/2019 19:44, Colin Bournez wrote:

Dear all,

I would like to know if there is the possibility to use the Scaffold
Tree algorithm in RDKit?
In the documentation, there is an existing page :
http://rdkit.org/docs/source/rdkit.Chem.Scaffolds.ScaffoldTree.html
[1]

But it is empty...


Maybe this open source software can do what you need:

http://scaffoldhunter.sourceforge.net/

Regards,
F.


I also saw message in rdkit list from 2015 but since there nothing.
Are there any news?

Cheers,

--
 Signature
*

 BOURNEZ COLIN [2]  [3]
Chemoinformatics PhD Student

  INSTITUTE OF ORGANIC AND ANALYTICAL CHEMISTRY (ICOA UMR7311)
 Université d'Orléans - Pôle de Chimie
 Rue de Chartres - BP 6759
 45067 Orléans Cedex 2 - France
 +33 (0)2 38 49 45 77 [4]
 SBC Tool Platform [5] - SBC Team [6] [7]

 [8]

  [9]

 [10]



Links:
--
[1] http://rdkit.org/docs/source/rdkit.Chem.Scaffolds.ScaffoldTree.html
[2] https://www.linkedin.com/in/colin-bournez-b9a1b2b7/
[3] http://www.icoa.fr/
[4] tel:+33%202%2038%2049%2045%2077
[5] http://sbc.icoa.fr/
[6] http://www.icoa.fr/bonnet
[7] http://www.icoa.fr/fr/rss.xml
[8]
https://www.facebook.com/pages/Institut-de-Chimie-Organique-et-Analytique-ICOA-umr7311/222060911297163
[9] https://twitter.com/ICOA_UMR7311
[10]
https://www.linkedin.com/company/institut-de-chimie-organique-et-analytique---icoa-umr7311/

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Re: [Rdkit-discuss] Scaffold Tree implementation

[Greg Landrum]

Hi Colin,

It would be great to have one, but there is, to the best of my knowledge,
no scaffold tree implementation currently available for the RDKit.

-greg


On Thu, Feb 14, 2019 at 11:45 AM Colin Bournez <
colin.bour...@univ-orleans.fr> wrote:

> Dear all,
>
> I would like to know if there is the possibility to use the Scaffold Tree
> algorithm in RDKit?
> In the documentation, there is an existing page :
> http://rdkit.org/docs/source/rdkit.Chem.Scaffolds.ScaffoldTree.html
>
> But it is empty...
>
> I also saw message in rdkit list from 2015 but since there nothing. Are
> there any news?
>
> Cheers,
>
> --
> *Bournez Colin *  
> 
>
> *Chemoinformatics PhD Student *
> * Institute of Organic and Analytical Chemistry (ICOA UMR7311)*
>  Université d'Orléans - Pôle de Chimie
>  Rue de Chartres - BP 6759
>  45067 Orléans Cedex 2 - France
>  +33 (0)2 38 49 45 77 <+33%202%2038%2049%2045%2077>
>  SBC Tool Platform  - SBC Team
>   
>
> 
>  
>
> 
>
>
> ___
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
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[Rdkit-discuss] Scaffold Tree implementation

[Colin Bournez]

Dear all,

I would like to know if there is the possibility to use the Scaffold 
Tree algorithm in RDKit?

In the documentation, there is an existing page :
http://rdkit.org/docs/source/rdkit.Chem.Scaffolds.ScaffoldTree.html

But it is empty...

I also saw message in rdkit list from 2015 but since there nothing. Are 
there any news?


Cheers,

--
Signature
*Bournez Colin *  
 

/Chemoinformatics PhD Student
/
* Institute of Organic and Analytical Chemistry (ICOA UMR7311)*
 Université d'Orléans - Pôle de Chimie
 Rue de Chartres - BP 6759
 45067 Orléans Cedex 2 - France
 +33 (0)2 38 49 45 77 
SBC Tool Platform  - SBC Team 
 	 
 


 
 






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