Autonomous platforms for data-driven organic synthesis

Wenhao Gao, Priyanka Raghavan and Connor W. Coley ()
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Wenhao Gao: Massachusetts Institute of Technology
Priyanka Raghavan: Massachusetts Institute of Technology
Connor W. Coley: Massachusetts Institute of Technology

Nature Communications, 2022, vol. 13, issue 1, 1-4

Abstract: Achieving autonomous multi-step synthesis of novel molecular structures in chemical discovery processes is a goal shared by many researchers. In this Comment, we discuss key considerations of what an ideal platform may look like and the apparent state of the art. While most hardware challenges can be overcome with clever engineering, other challenges will require advances in both algorithms and data curation.

Date: 2022
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DOI: 10.1038/s41467-022-28736-4

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