User 173254b396
17-03-2009 08:58:02
Hi,Something has changed in <chemaxon.sss.screen.CombinedFingerprint.getCombinedFingerprints>. There are a new (boolean withBranchCalculation), and I couldnot find any description about . I generate hashcode from the calculated fingerprint and compare it to cd_hashcode in the a structure. Could you send me some description about the changes? Kind of urgent.Any help is appreciated .Thanks, Péter
ChemAxon a3d59b832c
17-03-2009 09:21:04
Hi,
Fingerprint calculation has changed in JChem 5.2 to enhance search performance.
Amongst other changes, it now contains a new type of pattern - branched ones. This feature can be switched on and off by the above method. Because other aspects of the fingerprint also have changed, I recommend to regenerate the old hash codes.
Best regards,
Szabolcs
User 173254b396
17-03-2009 09:27:02
What is a branched pattern? Is there any relevance in my case?
Péter
ChemAxon a3d59b832c
17-03-2009 09:47:10
It is an extension of the original linear patterns by involving branching at the end of the path, and is used at the generation of the second bit of the fingerprint.
Yes, it may be relevant for you, because the fingerprint info is used for the hash code generation.
I suggest to leave this setting on the default value (true).