Before revision:  Understanding the physicochemical properties of ligand-binding sites is very important in the field of drug discovery as well as understanding biological systems. Protein-ligand binding site plays an essential role in the interaction between protein and ligand that is necessary for any living system to survive. Comparing similarities between binding siteshas been one of the main focus areas since the last decade in bioinformatics and drug discovery .
After revision:  Tasks such as assessment of protein functional similarity and detection of side effects of drugs need identification of similar binding sites of disparate proteins across diverse pathways. Machine learning methods for similarity assessment require feature descriptors of binding sites. Traditional methods based on hand engineered motifs and atomic configurations are not scalable across several thousands of sites .