RDKit [1] is a very nice cheminformatics software. It allows us to perform a wide range of operations on chemical compounds/ ligands. We have provided a Python script to perform fingerprinting using Tanimoto similarity on multiple compounds using RDKit. Introduction tanimoto_similarities.py script calculates Tanimoto similarities of given molecules in the form of smiles. Let’s say … Continue reading tanimoto_similarities.py: A Python script to calculate Tanimoto similarities of multiple compounds using RDKit.