I would like to know what is the relation between the Daylight hashed fingerprints and ChemAxon-fingerprints. Can one say that the Daylight-algorithm is implemented in ChemAxon? Because I read on ChamAxon's webpage that ChemAxon uses a propiertrary method for scoring fragments, however I could not find reference to this propiertrary method. Is this method patented by ChemAxon? If yes, can I get a reference to it?
Another question, which is the correct writing style: ChemAxon fingerprint or ChemAxon-fingerprint (or ChemAxon algorithm?)
Thanks for your help!
I don't know the Daylight algorithm so I can just guess that the two algorithms are similar.
Where have you found this?
| I read on ChamAxon's webpage that ChemAxon uses a propiertrary method for scoring fragments |
Fingerprint description is at:
|Another question, which is the correct writing style: ChemAxon fingerprint or ChemAxon-fingerprint (or ChemAxon algorithm?) |
It is a hashed fingerprint implemented by Chemaxon, so my suggestion: Chemaxon hashed fingerprint.
thank you for your answer! The information which states that ChemAxon uses a proprietary method to generate hashed binary fingerprints was found on your website (even now you can find it): http://www.chemaxon.com/jchem/doc/user/fingerprint.html
Here I cite the complete paragraph which can be found at "1. Introduction" section: "Using a proprietary hashing method, a given number of
bits in the bit string are set for each pattern." . This sentence is the first one in the 3rd point of the "The Process of Fingerprint Generation
in JChem and GenerateMD" paragraph in "1. Introduction" section.
Daylight fingerprint: http://www.daylight.com/dayhtml/doc/theory/theory.finger.html
and even your website has reference to it at the bottom of the same page of your site (http://www.chemaxon.com/jchem/doc/user/fingerprint.html
I if I could get a reference to the exact fingerprint generating process of ChemAxon (including scoring tables) if it is possible.
We have our inhouse developed hashing method, but you were talking about "scoring fragments", and actually I don't know what do you mean on "scoring fragments".
|If I could get a reference to the exact |
fingerprint generating process of ChemAxon (including scoring tables)
if it is possible.
Could you explain me what is the scoring table?
actually I am interested whether the hashing method is the same as in the case of Daylight algorithm. However, based on your last answer I assume it is not the same. I just thought (as your website states) that there's a patent where this hashing method can be found, according to the term "proprietary" on your website. (I used the scoring table by means of computing an integer value for discovered fragment in the molecule which must be the first step in the hashing method). So actually there is no public reference for the complete procedure of generating the ChemAxon hashed binary fingerprints?