Machine learning protocol for monitoring the C–C coupling in catalytic reactions via deciphering the infrared spectroscopy (IMAGE)

Science China Press

Machine learning protocol for monitoring the C–C coupling in catalytic reactions via deciphering the infrared spectroscopy

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Using calculated infrared spectroscopy as input, the proposed machine learning framework, consisting of multiple blocks and a fully connected layer could accurately predict target structural and energetic information, along with critical reaction profiles. Art by Li Yang and Sheng Ye.

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Art by Li Yang and Sheng Ye.

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