James L Waters Symposium: Generative AI in the Analytical Chemist’s Toolbox for Chemical Measurements

In the current era of scientific discovery, the breadth of knowledge required in multiple domains has expanded beyond the capacity of most analytical chemists. The main pillars of analytical chemistry, besides chemistry, are physics and mathematics. This challenge is exacerbated by the esoteric nature of mathematical expressions and models employed in chemometric papers, which can impede the implementation of newly developed ideas in routine workflows. Since nobody can know everything, how can generative artificial intelligence (AI) provide task-specific assistance to analytical chemists? This session aims to present practical ideas on utilizing AI from speakers who have successfully integrated AI into their research. The session will address integration into laboratory practice, guiding attendees on how to embed prompt templates and validation snippets into data-analysis pipelines. We plan to invite speakers who will showcase how generative large language models can be harnessed as on-demand algorithm generators for diverse analytical tasks. Attendees gain practical knowledge for implementing AI tools, understanding computational requirements, data preparation strategies, and validation protocols. The discussion focuses on overcoming common implementation barriers, including data quality issues, algorithm selection, and integration with existing laboratory information systems. Attendees will gain access to transferable code, benchmark datasets, and a decision tree for determining when generative AI is scientifically warranted versus merely hype. By codifying this “prompt→validate→deploy” cycle, the session aims to transform generative AI from a black-box curiosity into a reliable analytical-chemist colleague. The speakers will also be requested to outline a plan, ensuring that AI is not merely an inapproachable concept but is sustainably integrated into the analytical chemist’s everyday toolkit. Problem-solving case studies will be part of this session.