Hi Francois,
On Thu, May 20, 2021 at 3:19 AM Francois Berenger wrote:
>
> The other day, I was looking for a paper describing them
> but the only thing I found was a reference to some Daylight
> product.
>
> I know there is a paper (maybe several in fact) for ECFP for example.
> Weren't the
Hi Greg,
Thanks for the response (and sorry to be the bearer of bad news!).
Issue added: https://github.com/rdkit/rdkit/issues/4155
Kind regards
James
From: Greg Landrum
Sent: 19 May 2021 14:59
To: James Davidson
Cc: rdkit-discuss@lists.sourceforge.net
Subject: Re: [Rdkit-discuss] Problem
Thanks James!
On Wed, 19 May 2021 at 17:40, James Davidson
wrote:
> Hi Greg,
>
>
>
> Thanks for the response (and sorry to be the bearer of bad news!).
>
> Issue added: https://github.com/rdkit/rdkit/issues/4155
>
>
>
> Kind regards
>
>
>
> James
>
>
>
> *From:* Greg Landrum
> *Sent:* 19 May
Dear list,
The other day, I was looking for a paper describing them
but the only thing I found was a reference to some Daylight
product.
I know there is a paper (maybe several in fact) for ECFP for example.
Weren't the path-based FPs formally described somewhere?
Thanks a lot,
F.
Dear All,
I've got a strong suspicion that what I am seeing is related to the open issue
3490 (https://github.com/rdkit/rdkit/issues/3490), but as I can't seem to find
a mention of a non-spiro problem then I thought I would share.
Tested in 2020.09.4 and 2021.03.2 with the same result.
Hi James,
I don't think that's the same bug as #3490. I think it's something
different; "yay".
;-)
It would be great if you could file a github issue for this.
Thanks,
-greg
On Wed, May 19, 2021 at 3:20 PM James Davidson
wrote:
> Dear All,
>
>
>
> I’ve got a strong suspicion that what I am
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