Re: [Rdkit-discuss] Dragon fingerprints?

2020-11-10 Thread Michal Krompiec
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

Re: [Rdkit-discuss] Dragon fingerprints?

2020-11-10 Thread Nils Weskamp
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

[Rdkit-discuss] Dragon fingerprints?

2020-11-10 Thread Michal Krompiec
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 ___ Rdkit-discuss mailing list Rdkit-discuss@lists.s