This course explores the methods and tools of digital chemistry, integrating recent advances in artificial intelligence, machine learning, and simulations.
In particular, we will demonstrate how computers can accelerate chemical research.
Methods: Graph Theory; Basics of Bayesian Statistics; Random Forest; Neural Networks; LLMs
Applications: Medicinal Chemistry; Molecular Simulations; Organic Synthesis; Molecular Properties
Course Language: Lectures in English; TD support in English or French, depending on the student.
