The topic of our round-table workshop on Thursday September 24, 2026 was AI and Large Language Models for NMR Spectral Artificial intelligence and large language models are developing rapidly and are increasingly being applied to chemistry-related problems, including NMR spectral prediction, interpretation, and structure elucidation. This workshop will examine the current capabilities and limitations of these tools, the reliability of their outputs, and the risks associated with using general-purpose LLMs for specialized scientific applications. Through practical examples and perspectives from researchers working in this area, we will discuss how AI and LLMs can be critically evaluated, appropriately validated, and reliably integrated into everyday NMR and chemistry workflows.
Panelists: Dimitris Argyropoulos – ACD/Labs Now part of Revvity Signals, Craig Butts – Head of the School of Chemistry – University of Bristol, Frank Hu – PHD Candidate, Stanford University.