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Chemistry in the AI era

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CORRESPONDENCE

12 May 2026

By

Yuanfei Lv 1 &

Didier Astruc 2

Xiang Liu China Three Gorges University, Yichang, China.

Yuanfei Lv China Three Gorges University, Yichang, China.

Didier Astruc University of Bordeaux, Talence, France.

Artificial-intelligence tools are making their way into chemical research (see Nature https://doi.org/q5ss; 2026 ). With them, researchers can process large volumes of data quickly and identify underlying patterns in complex systems. More projects are using AI tools to help with tasks such as chemical-molecule screening, structure determination, reaction predictions and the development of automated experimental platforms.

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