Before you learn about molecular machine learning and DeepChem, it is essential that we learn some elementary terminologies used in physics, mathematics, biology, and, most importantly, chemistry: the foundation of DeepChem is cheminformatics.
Cheminformatics is an interdisciplinary field unifying computer science and chemistry. It is a continuously evolving field that involves developing computational methods and software tools to analyze and interpret chemical or biochemical data.
The concepts that follow from this point onward will help you understand its usage better before you start installing, configuring, and using the tool chain.