Application of Artificial Intelligence in Chemical Reaction Prediction

The rapid development of artificial intelligence has brought great vitality and opportunities to many traditional fields. The combination of artificial intelligence and big data has created a novel perspective for the progress of chemistry. The analysis of a large amount of open-source data helps to discover original methods and ways of chemical reactions. At present, artificial intelligence has made significant breakthroughs in some key chemical tasks, such as forward reaction prediction, reaction performance prediction and reaction condition optimization. This paper reviews the process of artificial intelligence in chemical reactions, and then analyzes and discusses the current challenges in this field.