Introductory Machine Learning for Chemistry Students

Brief description: Can a computer predict whether a molecule melts, boils, or dissolves before you ever step into the lab? In this hands-on, international programme, chemistry and chemical engineering students discover how machine learning turns molecular structure into physical-property predictions. You will learn to represent molecules as data (SMILES notation and molecular descriptors), measure the melting point, density, and refractive index of organic compounds in the laboratory, and then build, train and evaluate your own predictive models in Python. Along the way you will see that the “magic” of machine learning is really applied mathematics - optimization and data analysis - put to work on authentic chemical problems. Working in mixed international teams, you will move step by step from molecule to data to model and reflect on how data-driven methods can support greener, more sustainable chemistry. No prior programming or machine-learning experience is required; just curiosity about where chemistry and data science meet.ECTS: 6Dates: 02/11/2026 - 07/12/2026 (virtual); 14/12/2026 - 18/12/2026 (physical).Organiser: Bragança Polytechnic University (Portugal).For more information: Adriano Silva adriano.santossilva@ipb.pt