overlap analysis in JChem for Excel

User 3256012cf4

27-08-2013 03:19:02

I would like to do a structure overlap analysis in JChem for Excel.

I know that I can do it in IJC. But is it possible that I do it in JChem for Excel?

ChemAxon a3dda216df

27-08-2013 10:18:43


In IJC you can use overlap analysis for two different purposes:

1. Which structures in this vendor library are already contained in my own database?
2. What proportion of structures in one database are more than 85% similar to any structures in another database?

According to IJC doumentation:


Process 1. is a kind of a duplication filtering, which cannot be carried out in JC4XL, since it is not a database handling application.

Process 2 is a kind of a similarity search, which can be carried out in JC4XL, if you import database 1 into a column and database 2 into an other column and calculate dissimilarities with JCDissimilarity functions.


Hope this helps, but let me know if you have further questions,