I used RDKit fingerprint node to generate ECFP4 fingerprints using Morgan. Does anyone know what is the maximum size of bits that can be generated?
Thanks in advance.
I used RDKit fingerprint node to generate ECFP4 fingerprints using Morgan. Does anyone know what is the maximum size of bits that can be generated?
Thanks in advance.
I don't believe that the RDKit code itself imposes a maximum.
I have done a couple of blog posts looking at the impact of fingerprint size on collisions when using the RDKit Morgan2 implementation: http://rdkit.blogspot.ch/2014/02/colliding-bits.html and http://rdkit.blogspot.ch/2014/03/colliding-bits-ii.html
Making the fingerprints larger than 8192 bits really doesn't do much.
Best,
-greg
This topic was automatically closed 90 days after the last reply. New replies are no longer allowed.