Exploring Chemical Space with Chemputation and Assembly Theory
A new paradigm for understanding and synthesizing chemical systems by integrating Assembly Theory with Chemputation to explore chemical complexity through automation and digitization.
Lee Cronin, University of Glasgow, SFI
Recent advancements in automation and digitization of chemistry have opened new avenues for exploring chemical complexity. In this talk I will explain how Assembly Theory[1-2] and Chemputation[3-4] can be used to develop a new paradigm to understand and harness the principles of Assembly Theory in chemical synthesis. Assembly Theory provides a framework for quantifying molecular complexity and understanding the emergence of complex chemical systems. Chemputation, on the other hand, offers a standardized method for digitizing and automating chemical synthesis through modular robotic platforms and a chemical programming language (χDL). By combining these approaches, researchers can systematically explore vast chemical spaces, optimize reaction conditions, and potentially discover novel molecules and materials. The integration of these two methodologies enables a new approach to explore chemical space with autonomous experimentation and discovery. As these technologies continue to evolve, they promise to accelerate chemical research, improve reproducibility, provide new insights into the fundamental nature of chemical complexity.