Illustration of the N-way data structure used in N-way HC-PLSR. Illustration of the data structure used in N-way metamodelling. Here the number of modes (ways) N = 3, where the first mode is the different simulations carried out using varying parameter combinations and/or initial conditions, the second mode is the various state variables of the analysed dynamic model and the third mode is the trajectories of the state variables. Hence, the data is here represented as a 3-way array. However, using more than three modes is possible. The decomposition of the 3-way data is described and illustrated in Additional file 1: Section S1.