Machine Learning of Temperature-Dependent Chemical Kinetics Using Parallel Droplet Microreactors

Temperature is a fundamental regulator of chemical and biochemical kinetics, yet capturing nonlinear thermal effects directly from experimental data remains a major challenge due to limited throughput and model flexibility. Recent advances in machine learning have enabled flexible modeling beyond conventional physical laws, but most existing strategies remain confined to surrogate models of end-point yields rather than transient dynamics. Consequently, an end-to-end framework unifying systematic kinetic data acquisition with machine learning based modeling has been lacking. In this paper, we present a unified framework that integrates droplet microfluidics with machine learning for the systematic analysis of temperature-dependent reaction kinetics. The platform is designed to enable immobilization and long-term time-lapse imaging of thousands of droplets under dynamic thermal gradients. This configuration yields massively parallel time-resolved datasets across diverse temperature conditions capturing transient kinetics and provides suitable inputs for training machine-learning models of reaction dynamics. Leveraging these datasets, we train Neural ODE models to learn nonlinear temperature-dependent kinetics directly from experimental data. We demonstrate accurate prediction of enzymatic kinetics, highlighting the robustness and versatility of the approach. Our framework bridges high-throughput experimental data acquisition with data-driven modeling, establishing a foundation for predictive ability and rational analysis and design of temperature-sensitive biochemical processes.