currently, I am working on a computational method of drug delivery system using Gaussian 09. I want to study PET, PCT, and NCI analysis complex systems. let me know the protocol and procedure of this analysis and how to do it.
For NCI analysis you have to use Multiwfn software (http://sobereva.com/multiwfn/) and for the visualizations VMD software (https://www.ks.uiuc.edu/Research/vmd/).