A Review on Artificial Intelligence Enabled Design, Synthesis, and Process Optimization of Chemical Products for Industry 4.0

With the development of Industry 4.0, artificial intelligence (AI) is gaining increasing attention for its performance in solving particularly complex problems in industrial chemistry and chemical engineering. Therefore, this review provides an overview of the application of AI techniques, in particular machine learning, in chemical design, synthesis, and process optimization over the past years. In this review, the focus is on the application of AI for structure-function relationship analysis, synthetic route planning, and automated synthesis. Finally, we discuss the challenges and future of AI in making chemical products.