Data Science Applications in Base Metal Catalysis

Advancements in base metal catalysis over the last decades have provided scientists with a wide range of synthetic tools to build organic small molecules. These new methodologies have broadened the substrate scope and improved our understanding of reaction mechanisms, resulting in more efficient approaches to building small molecules. In addition to new base-metal-catalyzed transformations, the advance in data science and machine learning has enabled scientists to gain insights and predictions of chemical transformation before conducting laboratory experiments. These tools offer advantageous opportunities to promote and enhance sustainability in chemical development. Therefore, the understanding and illustration of green base-metal-catalyzed synthetic methods in combination with AI/ML applications from different perspectives (i.e., academic-level chemists, industrial scientists) may provide important insights in promoting and practicing green chemistry and sustainability. Therefore, it is vital to bring scientists from different backgrounds to the same platform so that they can learn from one another on the topics of sustainability and green chemistry.

Thus, this symposium focuses on bringing synthetic chemists and chemical engineers from various academic and industrial settings to showcase their base-metal catalysis and/or AI/ML work. It will involve scientists from various stages of their careers to provide different perspectives and approaches towards green chemistry. Invited speakers will consist of both chemists and chemical engineers from academia and industry. The symposium will cover a wide range of base metal catalysis and AI/ML topics, including base metal-catalyzed methodologies, mechanistic understanding, AI/ML applications to synthetic chemistry, and computationally assisted ligand designs. These topics will showcase their respective approaches to addressing sustainability problems and the fundamental limitations in green chemistry. The knowledge gained by the audience from the symposium will help inform and educate the current and future workforce with various chemical and technological advancements in accelerating sustainability and green chemistry.

Session Organizers: Jacob Ganley, Bristol Myers Squibb; Kristine Golden, Bristol Myers Squibb