Relation of Daylight-fingerprint and ChemAxon-fingerprint

Hello,








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!








Zahoo

Hi,





I don't know the Daylight algorithm so I can just guess that the two algorithms are similar.

Quote:

I read on ChamAxon's webpage that ChemAxon uses a propiertrary method for scoring fragments

Where have you found this?


Fingerprint description is at:


http://www.chemaxon.com/jchem/doc/user/fingerprint.html

Quote:

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.














Andras

Dear Andras,





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.














Thank you!








Best regards,





Zahoo

Dear Zahoo,





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".

Quote:

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?














Andras

Dear Andras,





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?








Thanks!














Zahoo

Dear Zahoo,

Quote:

So actually there is no public reference for the complete procedure of generating the ChemAxon hashed binary fingerprints?

Exactly. And not for the hashing method as far as I know.





I have checked the daylight reference but the complete procedure is not given either.





Or may I missed something?





Andras