The molar flow of N2 was set to 1.0 mol•s -1 . Thus, the total amount of different reaction conditions was 1152 (compared to 8 in the training data set Table ). The catalyst volume 𝑉 was varied in a range from 10 -4 to 1 cm -3 . For each reaction conditions, the 20 points of 𝑉 were uniformly spaced in a logarithmic scale across the chosen range.