This study highlights new opportunities for optimal reaction route selection from large chemical databases brought about by the rapid digitalisation of chemical data. The chemical industry requires a transformation towards more sustainable practices, eliminating its dependencies on fossil fuels and limiting its impact on the environment. However, identifying more sustainable process alternatives is, at present, a cumbersome, manual, iterative process, based on chemical intuition and modelling. We give a perspective on methods for automated discovery and assessment of competitive sustainable reaction routes based on renewable or waste feedstocks. Three key areas of transition are outlined and reviewed based on their state-of-the-art as well as bottlenecks: (i) data, (ii) evaluation metrics, and (iii) decision-making. We elucidate their synergies and interfaces since only together these areas can bring about the most benefit. The field of chemical data intelligence offers the opportunity to identify the inherently more sustainable reaction pathways and to identify opportunities for a circular chemical economy. Our review shows that at present the field of data brings about most bottlenecks, such as data completion and data linkage, but also offers the principal opportunity for advancement.

The ionosphere is the propagation medium for radio waves transmitted by an over-the-horizon radar (OTHR). Ionospheric parameters, typically, virtual ionospheric heights (VIHs), are required to perform coordinate registration for OTHR multitarget tracking and localization. The inaccuracy of ionospheric parameters has a significant deleterious effect on the target localization of OTHR. Therefore, to improve the localization accuracy of OTHR, it is important to develop accurate models and estimation methods of ionospheric parameters and the corresponding target tracking algorithms. In this paper, we consider the variation of the ionosphere with location and the spatial correlation of the ionosphere. We use a Gaussian Markov random field (GMRF) to model the VIHs, providing a more accurate representation of the VIHs for OTHR target tracking. Based on expectation-conditional maximization and GMRF modeling of the VIHs, we propose a novel joint optimization solution, namely ECM-GMRF, to perform target state estimation, multipath data association and VIHs estimation simultaneously. In ECM-GMRF, the measurements from both ionosondes and OTHR are exploited to estimate the VIHs, leading to a better estimation of the VIHs which improves the accuracy of data association and target state estimation, and vice versa. The simulation indicates the effectiveness of the proposed algorithm.