How to generate fingerprints in database

User 1b64124363

30-03-2012 06:42:24

I have one database where i want to generate its fingerprints..tell me how to generate fingerprints in instant jchem

ChemAxon fa971619eb

30-03-2012 07:32:44

Chemical hashed fingerprints are geenrated automatically whenever you create a structure table. They are stored in the CD_FP* columns (these columns are not displayed in IJC by default), and used internally as a key part of strucutre search. Details of these can be found here:

Other types of moleculer descriptor are also available fro JChem, but not currently accessible from IJC, only from command-line tools. See here for more: />

We do have plans to add support for these directly in IJC in the future. If have any particular ideas or needs then do let us know.