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Prof. Connor Wilson Coley

Class of 1957 Career Development Associate Professor of Chemical Engineering

Primary DLC

Department of Chemical Engineering

MIT Room: 66-548
(617) 253-9218
http://cheme.mit.edu/profile/connor-w-coley/

Assistant

Ruth Jackson
(617) 253-4561
ruthj124@mit.edu
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Areas of Interest and Expertise

Autonomous Discovery
Machine Learning
Laboratory Automation
Chemical Synthesis
Molecular Design
Drug Discovery

Research Summary

Professor Coley is the Class of 1957 Career Development Professor and associate professor of chemical engineering, with a shared appointment in Electrical Engineering and Computer Science (EECS). His research group develops new computational methods at the intersection of artificial intelligence and chemistry with relevance to small molecule drug discovery, chemical synthesis, and structure elucidation.

Recent Work

  • Video

    07.16.24-TokyoLifeScienceSymposium_ArtificialIforDesignSynthesisofSmall MoleculeConnorWColey

    July 16, 2024Conference Video Duration: 41:0
    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 discuss our group’s work advancing AI/ML as it applies to the broad subfields of medicinal chemistry and synthetic organic chemistry. I will describe several approaches to facilitate decision-making when planning iterative design-make-test-analyze cycles, including the use of formal optimization techniques for selecting molecules from virtual libraries or proposed by generative AI and the use of computer-aided synthesis planning algorithms to define synthetically-accessible chemical spaces. A pervasive theme of our research is the formulation of problems in molecular design and synthesis in a manner amenable to computational approaches. 

    Using Computational Tools for Molecule Discovery

    May 6, 2021MIT Faculty Feature Duration: 27:31

    Connor Coley
    Assistant Professor of Chemical Engineering

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