Artificial intelligence and molecule machine join forces to generalize automated chemistry

An international team of researchers led by the University of Illinois combined powerful artificial intelligence and a molecule-making machine to find the best conditions for automated chemistry.

They reported their findings in the journal Science.

The automated molecule-making machine in his lab snaps together the building blocks and creates a wide range of possible structures.

"We were looking to see two things, an increase in yield and a decrease in uncertainty, for a broad spectrum of reactions," said Grzybowski, who now is at the Ulsan Institute of Science and Technology.

The machine-learning process described in the paper could be applied to other areas of chemistry to find the best reaction conditions for larger organic compounds.

The extension possibility of this approach to other similar reaction chemistry, and other types of carbon-carbon links is exciting. He is an Illinois professor of materials science and engineering and chemical and biomolecular engineering.

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