Energy-efficient and environmentally friendly processing of industrial coal ash waste is an important physicochemical, technological, and environmental problem. The aim of this paper is to propose a method for the physicochemical development of hybrid fibrous (steel and/or polypropylene) geopolymer composites based on coal ash. The method is based on the experimental and theoretical control of the physicomechanical properties (compressive and flexural strength at different curing times) in accordance with the influence of the chemical composition and microstructure of the new composites on their properties. For fiber-reinforced geopolymers, quantitative structure–activity relationship (QSAR) approaches have been adapted to macro-level structural parameters. instead of molecular descriptors, the following are used: activator composition (SiO