Re: [Rdkit-discuss] [EXTERNAL] RDkit support on computing descriptors for organometallic complexes

2021-06-04 Thread Vincent Scalfani
Dear Joanna,

There is an active RDKit discussion on "Improving the RDKit's support for 
organometallics Part 1: Use cases" here:

https://github.com/rdkit/rdkit/discussions/3618

Hope that helps.

Vin



From: ITS RDC 
Sent: Friday, June 4, 2021 7:22 AM
To: rdkit-discuss@lists.sourceforge.net 
Subject: [EXTERNAL] [Rdkit-discuss] RDkit support on computing descriptors for 
organometallic complexes

Dear all,

May I ask if how extensive is the support of Rdkit in computing molecular 
descriptors for organometallic complexes especially transition metals? Thank 
you.

Joanna
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Re: [Rdkit-discuss] [EXTERNAL] RDkit support on computing descriptors for organometallic complexes

2021-06-04 Thread ITS RDC
Hi Vin,

Thanks for the help! Appreciate it 

Joanna

From: Vincent Scalfani 
Sent: Friday, June 4, 2021 10:13 PM
To: ITS RDC ; rdkit-discuss@lists.sourceforge.net 

Subject: Re: [EXTERNAL] [Rdkit-discuss] RDkit support on computing descriptors 
for organometallic complexes

Dear Joanna,

There is an active RDKit discussion on "Improving the RDKit's support for 
organometallics Part 1: Use cases" here:

https://github.com/rdkit/rdkit/discussions/3618

Hope that helps.

Vin



From: ITS RDC 
Sent: Friday, June 4, 2021 7:22 AM
To: rdkit-discuss@lists.sourceforge.net 
Subject: [EXTERNAL] [Rdkit-discuss] RDkit support on computing descriptors for 
organometallic complexes

Dear all,

May I ask if how extensive is the support of Rdkit in computing molecular 
descriptors for organometallic complexes especially transition metals? Thank 
you.

Joanna
___
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Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss