AI for computational metabolomics
Visiting speaker
Connor Coley
Associate Professor, MIT
Past Talk
Hybrid
Wednesday
Jan 22, 2025
Watch video
2:00 pm
EST
Virtual
177 Huntington Ave.
11th floor
11th floor
Devon House
58 St Katharine's Way
London E1W 1LP, UK
58 St Katharine's Way
London E1W 1LP, UK
Artificial intelligence and machine learning have become important components of the computational toolbox that can be used to advance chemical research and discovery. In this talk, I will describe our recent work in analytical chemistry, specifically using tandem mass spectrometry data for structure elucidation of unknown small molecule metabolites. A pervasive theme of our research is the use of domain expertise to inform modeling, from formulating chemistry challenges as statistical learning problems to designing new neural network architectures uniquely suited to chemistry data.
About the speaker
About the speaker
Connor W. Coley is the Class of 1957 Career Development Professor and an Associate Professor without tenure at MIT in the Department of Chemical Engineering and the Department of Electrical Engineering and Computer Science. His research group at MIT works at the interface of chemistry and data science to develop models that understand how molecules behave, interact, and react and use that knowledge to engineer new ones, with an emphasis on therapeutic discovery.
Connor W. Coley is the Class of 1957 Career Development Professor and an Associate Professor without tenure at MIT in the Department of Chemical Engineering and the Department of Electrical Engineering and Computer Science. His research group at MIT works at the interface of chemistry and data science to develop models that understand how molecules behave, interact, and react and use that knowledge to engineer new ones, with an emphasis on therapeutic discovery.
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