Welcome to the Coley Group Website!

Based in MIT’s Department of Chemical Engineering, Department of Electrical Engineering and Computer Science, and the Schwarzman College of Computing, we combine expertise in chemical engineering, computer science, and chemistry to accelerate the design, discovery, and development of new molecules and reactions. We develop platform technologies and workflows with relevance to small molecule drug discovery, chemical synthesis, and structure elucidation. The majority of our work is computational and makes extensive use of advances of machine learning as well as more traditional approaches in cheminformatics, but we maintain an interest in laboratory automation as applied to testing computational hypotheses, validating model predictions, and generating high-fidelity experimental data. One of the core ways we contribute to the field is by formulating problems in chemistry in a manner amenable to modern computational approaches without making simplifying assumptions that abstract away too much complexity to be of practical use.

Read more about our research