Reaction Time and Yield in 418 Photoredox Reaction Optimization Trials

Abstract

photoredox reaction optimization is a central problem in organic chemistry, yet standard techniques scale poorly across heterogeneous samples. Our protocol combines transformer-based estimation with a lightweight validation pipeline designed to be reproducible by student laboratories. The proposed approach improves on the strongest baseline by 12% while reducing computational cost. We discuss limitations and outline directions for follow-up work at the undergraduate level.