Hi Nils,
Yes, of course, I meant descriptors, not fingerprints. Thanks for the link!
Best,
Michal
On Tue, Nov 10, 2020 at 10:30 PM Nils Weskamp
wrote:
> Hello Michal,
>
> you are probably referring to the Dragon Descriptors
> (https://chm.kode-solutions.net/products_dragon.php, now called
> alva
Hello Michal,
you are probably referring to the Dragon Descriptors
(https://chm.kode-solutions.net/products_dragon.php, now called
alvaDesc)? That is a pretty comprehensive set of more than 5.000
descriptors and I would be surprised of someone had (re-)implemented all
of them.
The closest t
Hello RDKitters,
Are Dragon fingerprints (or something close) available in RDKit (or free
codes that depend on RDKit)? I'm trying to reproduce results from one paper.
Thanks,
Michal Krompiec
Merck KGaA
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