Compr to calculate dissimilarity usin molecular descriptors

Hi,

In the "Compr" help section https://www.chemaxon.com/jchem/doc/user/Compr.html a formula is  mentioned to calculate dissimilarity when molecular descriptors are used...

How  can I use Compr function to do this. Can you please give me some example input file to do this.

 

Thanks

Sangi.

Hi Sangi,

You find examples of how to use compr in the user's manual.

Sample input files can be found in the examples/molecules folder in your JChem installation directory.

Regards

Miklos