Forecasting the Growth of Structures from NMR and X-Ray Crystallography Experiments Released Per Year

In this paper, we present a forecasting scheme for the growth of molecular structures from NMR and X-ray Crystallography experimental techniques released every year by employing an autoregressive (AR) process. The proposed scheme maximises the forecasting accuracy by utilising the optimal AR process order. The optimal model order was derived as the model with the least prediction error. Therefore, the proposed scheme has been efficiently employed to model and predict the annual growth of structures-based NMR and X-ray Crystallography experimental data for the next decade 2019–2028 using the time series of the past 43 years of both experimental datasets. The experimental results showed that the optimal model order to estimate both datasets was AR(2) which belongs to a forecasting accuracy of 98%, for both datasets. Indeed, such a high level of accuracy referred to the amount of linearity between the consecutive elements of the original times series. Hence, the forecasting results reveals of an exponential increasing behaviour in the future growth in the annual structures released from both NMR and X-ray Crystallography experiments.