Re: [Rdkit-discuss] RDKfingerprint function

Sorry I missed this thread earlier. I think the documentation answers this question: https://www.rdkit.org/docs/RDKit_Book.html#rdkit-fingerprints -greg On Tue, May 18, 2021 at 12:34 PM Nils Weskamp wrote: > Hi Din, > > to the best of my knowledge, the "RDKit" fingerprints are a path-based >

Re: [Rdkit-discuss] RDKfingerprint function

Hi Din, to the best of my knowledge, the "RDKit" fingerprints are a path-based ("Daylight-like") fingerprint as described in slide 7 of that presentation. You may want to have a look at https://www.daylight.com/dayhtml/doc/theory/theory.finger.html for a more detailed description. Best,

Re: [Rdkit-discuss] RDKfingerprint function

Hi Nils, Thanks for your mail ! So if I understand correctly, the function of the fingerprint is related to the topological fingerprint in the document? Thanks, Din On 18 May 2021, 13:10 +0300, Nils Weskamp , wrote: > > There may be more recent sources available.

Re: [Rdkit-discuss] RDKfingerprint function

Hi Din, this (old) presentation from a UGM might be a starting point: Landrum_RDKit_UGM.Fingerprints.Final.pptx There may be more recent sources available. Hope this helps, Nils ‪On Tue, May 18, 2021 at 11:44 AM

[Rdkit-discuss] RDKfingerprint function

Hi, I was looking for information on the function of the RDKfingerprint but did not find, I wanted to know what properties on the molecule this fingerprint gives me? Best, Din ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net