Before active learning, we found that 79 of 100 initial reactions are closer to first-order because their RMSE values are smaller. The premise for using the first-order rate constant fitting model is that the binding of the toehold is rapid and irreversible, and the displacement rate of the branch migration domain is slow. However, a subset of the 79 reactions have shorter toehold domains, rendering the approximation of overall displacement kinetics as first-order unreasonable. Moreover, a comparison of the yields obtained from the first-order and second-order rate constant fitting models revealed that the large standard deviations in the yields obtained from the first-order rate constant fitting model made it untenable. Despite the fact that the first-order rate constant fitting model may prove advantageous for certain reactions, the second-order rate constant fitting model provides more reasonable and useful parameterization. As such, we decided to use second-order rate constants as the labels. and Table .