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Mapping Reaction Space Using Machine Learning

Speaker: Abigail Doyle, Princeton University, Department of Chemistry
Series: CBE Departmental Seminars
Location: Elgin Room (E-Quad A224)
Date/Time: Wednesday, October 10, 2018, 4:00 p.m. - 5:00 p.m.

Due to the multidimensionality of chemical reactivity and structure, vast resources and time are currently expended on the process of “how to make something.” Combining ML and chemical synthesis offers the opportunity to fundamentally transform the field of chemistry by shifting the emphasis to “what should be made and why?” This lecture will describe my group’s research into the development and application of machine learning approaches to the prediction of optimal reaction conditions from data obtained via high-throughput screening.