DOI: 10.1039/d4cs01100g ISSN: 0306-0012
Chemistry-transforming applications of artificial intelligence
Michael G. Medvedev, Nikita S. Serov, Vasily A. Chaliy, Egor A. Ilin, Ilya V. Prolomov, Maria A. Eremeyeva, Mark Yu. Schneider, Igor A. Mezentsev, Daniil V. Artamonov, Daniil A. Boiko, Vladimir V. Vanovskiy, Alexander A. Ryabov, Evgeny V. Burnaev, Valentine P. AnanikovThis review critically assesses how AI is integrated into chemistry. We decompose the chemical research cycle, summarize the modern AI toolkit, and map them onto each other to discuss both near-term and longer-horizon prospects.