Activity data in Fragment statistics

User e5b3f1c532

11-02-2008 08:33:18

Hi,





I have tried the fragment statistics, in tht sorting by activity is there.





But what i understood is we should provide Activity value for each compound.





But i cudnt get how we will get this activity value. What all are can be reffered as compound's activity.?

ChemAxon efa1591b5a

11-02-2008 21:47:19

Indeed, you need to provide the activity for each input structure (which are fragmented). The fragmenter program is not an activity prediction (sg. like QSAR) tool. Activity data can be used to score various fragments, e.g. find those that have significant statistical contribution to the activity of the compounds.





If you don't have the activity data for your input molecule then you cannot use the activity scoring.





Miklos