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The Convergence of Chemistry and Artificial Intelligence Professor Joung Joon-young, School of Applied Chemistry
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The Convergence of Chemistry and Artificial Intelligence Opens a New Research Paradigm Professor Joung Joon-young of the School of Applied Chemistry, Nanomaterials Major at Kookmin University is developing an artificial intelligence model that predicts material properties and chemical reaction mechanisms through research fusing chemistry and artificial intelligence. The Artificial Intelligence Chemistry Research Lab is revolutionizing traditional chemical research processes and conducting research focused on understanding the essence of chemical reactions.
FlowER: AI for Predicting Chemical Reactions Published in Nature Professor Joung recently garnered significant attention by publishing ‘FlowER’, an AI model predicting chemical reaction mechanisms, in Nature, one of the world's most prestigious academic journals. While many existing AI models failed to gain chemists' trust by not adhering to fundamental principles of chemistry like the law of conservation of mass, FlowER structurally overcomes these limitations. FlowER is designed to strictly follow the law of conservation of mass, accurately predicting where electrons move during chemical reactions. This model stands out because it reflects the exact way chemists think and communicate. Professor Jung emphasizes, “The greatest strength is that chemists, who understand what matters in chemistry, are directly developing the AI model.” The publication in Nature holds special personal significance. Professor Joung's mother was also a scientist who published in Nature 31 years ago, making this a meaningful moment for the family as a generational research achievement.
Practical Application Potential Originating in the Pharmaceutical Industry The FlowER model was developed with support from a consortium involving approximately 20 major U.S. pharmaceutical companies and holds significant potential for application in drug discovery. By predicting impurities that may co-form during the synthesis of desired drug structures via chemical reactions, it can help avoid highly toxic substances or redesign reaction pathways. This technology has the potential to simultaneously enhance safety and efficiency in the pharmaceutical industry.
A Model Understanding Electron Movement, Predicting New Reactions The essence of chemical reactions is the movement of electrons. FlowER is a model that predicts this electron movement. In the future, it is expected to predict even previously unknown new chemical reactions by understanding how electrons flow in a given environment. This could serve as an important stepping stone to broaden the horizons of chemical research.
Research Bridging Academia and Industry Professor Joung's research holds significant academic value in demonstrating that AI can be a powerful tool even in the fundamental field of chemistry. It also holds practical value for industry by enabling rational process selection and material development through the advance prediction of various byproducts that can occur during chemical reactions.
Future Challenges and Research Vision Professor Joung is now pursuing new research applying AI to separation processes that isolate only desired products after chemical reactions. His long-term goal is to build AI models essential across all areas of chemistry by gradually expanding such research. Kookmin University hosts researchers across diverse fields including organic chemistry, materials chemistry, and nanochemistry, conducting research spanning industries like semiconductors, batteries, solar cells, and new drugs. Professor Joung takes pride in the fact that the AI Chemistry Research Lab is growing into one of the nation's leading chemical-AI convergence research groups.
To Students Dreaming of Becoming Future Chemists Professor Joung advises students, “Rather than predicting what will be promising in the future, immerse yourself in what you find fun and can do well right now.” He believes that starting with something you enjoy ultimately builds your skills, and the depth of your research naturally increases in the process. “I want to use AI to help chemists solve the important problems they are eager to tackle right now.” This single statement from Professor Joung clearly reflects his research philosophy: pursuing both academic advancement and social value through chemistry and artificial intelligence.
Professor Joung Joon-young's Research Lab Introduction Page Kookmin University School of Applied Chemistry Homepage
The Convergence of Chemistry and Artificial Intelligence, Professor Joung Joon-young, School of Applied Chemistry Spectroscopy and AI Lab Focusing on more effectively discovering new processes through the fusion of chemistry and artificial intelligence, In this video |
