RÉSUMÉ
Seeing that the complex giant system solving process of traditional Chinese medicine in mathematics is not descriptive and drawing on the advanced concepts of modern computer chemistry and materials science, Compound Danshen prescription consisting of both water-and fat-soluble substances was selected as a drug model to collect the physicochemical characteristic parameters of the effective part of material system (the chemical composition of the entropy, enthalpy, surface energy, and electricity, etc.), complex process-related characteristic parameters (operating temperature, stirring speed, and coating time, etc.), compound performance characteristic parameters of the product particle (micro-structural parameters and properties of biological agents), and other data, so as to establish a small database for the design and preparation of composite particles technology, study the regularity of "Chinese particle composite technology" by cross applying the knowledge of Chinese materia medica (CMM), computer chemistry, physicochemistry, explore the micro/nano-scale orderly combination mechanisms of CMM composite particles, try to control the microstructure and properties of multiple components by using modern physicochemical means, and provide a new research model for the achievement of "characterization parameter detection-process parameters screening-target product optimization" in CMM compounds research.