about the intermit of property prediction in Instance Jchem

User 22c88daf92

18-04-2013 03:29:29


We use Instance Jchem to import compound structure and prediction all the properties of them. We have following problems:

1. The properties prediction always intermit, especially when we predict Polarizability of some compound by the method averagePolarizability().  Is there some kind of compound which hard to predict the Polarizability? How can we pre-select them?

2. When the intermit happend,  the Instance Jchem just stop running and having any error message to show, how can we get the error meggage or log file about this?

3. When we restart the prediction again, all the properties will be predicted again, because our database have large-scale compound, so many time wasted. How can we overleap the single overtime prediction in program, and ignore already predicted property ?

Is there some detail doc or java examples about above questions?


ChemAxon 2bdd02d1e5

19-04-2013 12:58:46

Hi, there is a documentation for calculated fields at http://www.chemaxon.com/instantjchem/ijc_latest/docs/user/help/htmlfiles/editing_database/fields_chem_terms.html but it does not say anything about your problem.

To view log file go in the menu to View -> Instant JChem Log File. Then window with logging information is open. You can save it to the file and attach it here if you r-click there and Save Text As...

There maybe some problem with a specific structure, but we would need the structure where it stops or error message to say more about it. Can you please provide it?

Thanks, Filip.