Researchers build an AI assistant for synthetic chemists

Researchers at the University of Liverpool have developed an AI assistant to aid synthetic chemists in optimizing organic molecular synthesis. The AI employs Bayesian optimization to recommend experiments based on previous results, significantly reducing the number of trials needed. This method led to the discovery of an iridium-free catalyst for carbon-carbon bond formation, traditionally dependent on costly iridium. The AI assistant integrates known chemical rules and computed physical properties to guide experiment choices, making the optimization process smarter and more efficient.

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