Lab of the Future Europe

In AI- and automation-enabled chemistry laboratories, automated data flows are essential for bridging experimental execution with data-driven insight. This presentation explores how analytical data—generated from techniques such as LC, MS, and NMR—and chemistry data from related experiments can be captured, standardized, and assembled automatically within the experimental context; and managed for both scientist and machine-use. When analytical results are formatted and engineered with chemical and procedural metadata and structured through technologies like ACD/Labs’ Spectrus platform, they become the rich input for downstream use in laboratories and AI/ML frameworks.