Development of Sustainability Fact Sheets for Evaluating Undergraduate Organic Chemistry Laboratory Experiments Using AI4Green

Abstract Undergraduate chemistry laboratories are essential for practical skills development but can generate substantial environmental and financial costs that are rarely evaluated systematically during curriculum design. Herein, we report a data-driven approach for assessing the sustainability of undergraduate organic chemistry laboratory experiments using AI4Green, a green chemistry-focused electronic laboratory notebook, in combination with experimentally derived student data. Green chemistry metrics, including atom economy, mass efficiency, E-factor, and process mass intensity, were derived using AI4Green workflows and complementary calculations, and integrated with student yield distributions, waste generation, reagent costs, energy usage, and skills profiling. These data are compiled into Sustainability Fact Sheets, which provide a clear, visual comparison of experiments to support evidence-based curriculum decision–making by instructors. A Python-based metric calculator was developed, which automates metric generation and visualization from AI4Green-derived data. Application to a first-year organic chemistry curriculum identified opportunities to reduce waste, hazardous material use, and costs without compromising core laboratory skills. This work demonstrates how AI4Green can be extended beyond reaction-level assessment to support evidence-based evaluation and review of undergraduate chemistry laboratory experiments.