ECFP fingerprints

User d4e43202ac

01-09-2010 14:37:47

What is the status of the ECFP fingerprints?  I would like to try them, but find (while they seem to be available) that there is no approriate configuration file.   I am also wondering whether others have tried them (if they are indeed there) and how they performed relative to other fingerprints.  There was a reference to them in October 2009, but seemingly nothing since.  (I seem to be using v5.3.5 - or in any case that is what my generatemd claims to be).



ChemAxon efa1591b5a

06-09-2010 07:39:35

Hi Dick,


ECFP/FCFP will be released in version 5.4 soon (this month, hopefully). In the meantime, you can try the pre-release version already part of 5.3.7, though this is not yet configurable. 

Configuration file (inXML) will be supported in the final release.

If you are interested in beta testing of 5.4 please let me know.




User d4e43202ac

07-09-2010 14:30:09

Hi Miklos,


Thanks very much for the information.  Since the release of 5.4 is imminent, I will just wait for the release version. 


Best regards,