I am trying to create a database of markush structures
and then query it to determine if a specific chemical is a match
against a markush structure in the database. I created the Markush
library in IJC 2.5.1 using Markush library table contents option when creating
JChem table in IJC. The problem I am having is that search is "never"
completed or at least it doesn't complete in the period I waited for it
to complete ~ 20 min. The query structure I am using is: "CC1=C(C)C2=C(NC(=O)NC2=O)S1" and the database contains only 3 Markush structures, see attachments.
OS: Windows XP SP2
Thank you for the structures. I could reproduce the problem.
We will investigate and get back here.
I looked in Instant JChem and I didn't see equivalent option in search panel. I will test it from a Java program to see how it can improve speed, but it would be desirable to have this option in the IJC GUI.
You are right, this option is not available in the Instant JChem panel. I will discuss with Tim how to make it possible to specify advanced search options.