Science

Artificial Intelligence in Organic Synthesis

Artificial intelligence (AI) is rapidly reshaping organic synthesis; nevertheless, currently most laboratory practice still remains driven by human intuition, trial-and-error optimization, and manual interpretation of analytical data. Here, we synthesize recent advances that move AI from isolated demonstrations to a practical toolkit spanning the full experimental cycle: molecular design and prioritization, computer-assisted synthesis planning and route selection, catalyst and condition optimization, and AI-enab…