User 0ddbb0a7c8
07-09-2009 10:50:08
I have just added lipinski rule descriptors (among others) into my chemical database and have obtained a license.
However, as one might expect, an error occurs when the search attempts to determine the mass of the polymers in the database. How can I add a parameter to ignore the polymers when performing a decriptor limiting search.
Thank you
Christian de Bouillé
ChemAxon a3d59b832c
08-09-2009 15:50:08
Hi Christian,
We will add a search option to ignore Chemical Terms exceptions. The problematic structures will just be left out from the resultset.
Best regards,
Szabolcs
ChemAxon a9ded07333
10-11-2009 08:44:12
Hi Christian,
The new search option, ignoreCTExceptions will be introduced in JChem 5.3 that is due at the end of November.
It ignores all non-syntactical exceptions. We would like to refine this behavior in upcoming minor releases, if you have remarks about it please share them with us.
Thanks for your post and best regards
Tamás