Introduction to cheminformatics using rdkit
[Download this notebook](03 - Cheminformatics.ipynb)
In this lesson you’ll learn: how to read smiles using rdkit. how to manipulate and visualize molecules. how to calculate molecule descriptors. how to calculate the similarity of molecules using fingerprints. Today’s notebook is about the use of Python in cheminformatics. As a case study, you will be looking for an alternative to Sorafenib. Sorafenib is a kinase inhibitor used mainly to treat advanced kidney cancer.