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Specifically, incineration makes up 82.5% of municipal solid waste treatment in China in the end of 2023. Fly ash contains heavy metals, soluble salts, and dioxins that pose severe risks to the environment and human health. This review focuses on the aspects of the various materials in fly ash and modern approaches of material recovery from fly ash. Several treatment methods and novel approaches are described. The application of predictive retrosynthesis as a novel approach is recommended to enhance fly ash treatment. Desired materials could be extracted, and undesired products torn apart by the design of the chemical reactions that inform the technical process. 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