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 molecular discovery. We develop platform technologies and workflows with relevance to small molecule drug discovery, chemical synthesis, and materials science. 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 a strong interest in laboratory automation as applied to testing computational hypotheses, validating model predictions, and generating high-fidelity experimental data.

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