Skip to end of metadata
Go to start of metadata

These descriptors are described in

Vijay H.Masand and Vesna RastijaPyDescriptor: A new PyMOL plugin for calculating thousands of easily understandable molecular descriptors, Chemometrics and Intelligent Laboratory Systems, 2017, 169, 12-18.

The implementation uses OpenSource version of PyMol. The source code to calculate the descriptors is available on the request from the authors. Contact Dr. Vijay Masand.


  • No labels