code for generating fingerprints through marvinsketch

User 1b64124363

30-03-2012 06:55:31

code for generating fingerprints through marvinsketch

ChemAxon 60ee1f1328

30-03-2012 08:08:07

Hi Seerat,


If I have understood your statement correctly, you are asking how one might generate fingerprints from Marvin Sketch?

Honestly, I don't think this can be done in Marvin Sketch but you can generated calculated properties which could be used as descriptor ?

You could access the structrual FP keys via a GROOVY script in IJC but these are generally for internal usage and should not be modified without good reason.

Please provide us more information on your intentions?



User 1b64124363

30-03-2012 09:15:58

Hello Sir

Thanx for your reply

Actually i am doing Sub structural search using PHP and MYSQl where i have to generate fingerprints for my queryso that i can match these fingerprints with in the database to get the accurate results.



ChemAxon fa971619eb

30-03-2012 11:08:51

If you are wanting to generate fingerprints programatically then this can be done using the APIs. If you need details on this then I would suggest posting a question to this forum as it is outside the scope of IJC: