to do a bit more work.
>
> Best,
> -greg
>
>
>
> _____
> From: Marco Stenta <marco.ste...@gmail.com>
> Sent: Thursday, September 29, 2016 4:13 PM
> Subject: [Rdkit-discuss] Ring membership
> To: <rdkit-discuss@lists.sourceforge.net>
ail.com>
Sent: Thursday, September 29, 2016 4:13 PM
Subject: [Rdkit-discuss] Ring membership
To: <rdkit-discuss@lists.sourceforge.net>
Dear Colleagues,I am working on intramolecular hydrogen bonds, formed between
donor-acceptors separated by 2,3,4 atoms, as described in the Roche paper:Kuhn,
On 29/09/16 15:12, Marco Stenta wrote:
> Dear Colleagues,
> I am working on intramolecular hydrogen bonds, formed between
> donor-acceptors separated by 2,3,4 atoms, as described in the Roche paper:
> Kuhn, B.; Mohr, P.; Stahl, M. J. Med. Chem. 2010, 53, 2601.
>
> I will use SMARTS and RDKIT to
Dear Colleagues,
I am working on intramolecular hydrogen bonds, formed between
donor-acceptors separated by 2,3,4 atoms, as described in the Roche paper:
Kuhn, B.; Mohr, P.; Stahl, M. J. Med. Chem. 2010, 53, 2601.
I will use SMARTS and RDKIT to identify and classify IMHB.
I see from
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