Learning Chemical Reaction Space: A Machine Learning Approach to Reaction Development and Discovery
The discovery and study of chemical reactivity continues to play an integral role in the treatment of disease, the study of fundamental biological processes, and the design of new materials for renewable energy. Despite decades of innovation, fundamentally new chemical reactions are increasingly challenging to discover and develop. Modern machine learning has resulted in powerful pattern recognition tools to uncover complex relationships directly from data. This proposal merges the fields of organic reaction discovery with machine learning: we will develop a new machine learning approach tailored toward understanding the reactivity of transition metal catalysts, and apply these methods to address challenges in modern organic synthesis and chemical reaction discovery. We anticipate that these studies will open up new avenues in chemical research and innovation.
Arnold O. Beckman exemplifies the meaning of the word humanitarian. Combined with his unwavering enthusiasm for life, his keen sense of humor and his strong moral and ethical principles, he is a national icon.