Re: [Rdkit-discuss] About the original order algorithm of GetMorganFingerprintAsBitVect function

2022-07-25 Thread Nils Weskamp
Dear Yuzhi, a high-level discussion of the various fingerprints in the RDKit can be found at https://www.rdkit.org/UGM/2012/Landrum_RDKit_UGM.Fingerprints.Final.pptx.pdf If you want to know more, I would suggest to take a look at Rogers, D.; Hahn, M. Extended-Connectivity Fingerprints. J. Ch

Re: [Rdkit-discuss] About the original order algorithm of GetMorganFingerprintAsBitVect function

2022-07-25 Thread Yuzhi Xu
On Mon, Jul 25, 2022 at 6:00 PM Yuzhi Xu wrote: > Dear Sir or Madam > > Many thanks for your reading. I am a student who is using the rdkit as a > vital tool in my work. I wonder if I could know how the > GetMorganFingerprintAsBitVect function works. I noticed that there will be > a rigid order o