Connor W. Coley

Connor W. Coley is the Class of 1957 Career Development Professor and Associate Professor at MIT's Department of Chemical Engineering and Department of Electrical Engineering and Computer Science. His research bridges chemistry and machine learning, focusing on accelerating molecular discovery through AI-driven strategies. He holds a B.S. from Caltech and a Ph.D. from MIT. His work emphasizes autonomous discovery, predictive chemistry, and lab automation.

Coley’s research group develops tools like ASKCOS for synthesis planning and explores generative AI for molecule design. He has pioneered methods for reaction outcome prediction, retrosynthetic analysis, and data-driven optimization. Awards include the Camille Dreyfus Teacher-Scholar Award and multiple NSF grants. His lab collaborates across disciplines, integrating robotics for experimental validation.

Key areas include: synthetic cost-aware molecular design, generative models constrained by synthesizability, and high-throughput screening strategies. Notable projects involve projecting molecules into synthesizable chemical spaces and optimizing robotic liquid handling. The group also advances metabolomics and drug discovery through AI-enhanced approaches.

Coley advises over 20 graduate and undergraduate researchers, emphasizing mentorship. His work has been deployed in 15+ pharmaceutical companies and has led to open-source software widely used in the field. Current efforts aim to close the gap between generative AI and practical chemical synthesis execution.