Descriptors: Molecular Quantum Numbers (MQN)

Has anyone considered implementing these as descriptors in e.g. CDK, Indigo, or RDKit?

Thanks,

Natasja

 

Looking at gdb13 page have we? Most are easy to implement using smarts strings, especially the counts. Some of them should be available in mold2 which works fine on windows at least.

But yes it would be nice to have them.