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 <nils.wesk...@gmail.com> wrote: > 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 thing that I am aware of would be Mordred > (https://github.com/mordred-descriptor). > > Hope this helps, > Nils > > Am 10.11.2020 um 23:11 schrieb 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.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > > >
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