Abstract: In view of the performance requirements that ideal chemical gas fire extinguishing agents need to meet, such as environmental friendliness, high fire extinguishing efficiency, stable storage, safety and low toxicity, this paper summarizes in detail the rapid evaluation methods for the application performance parameters of new gas fire extinguishing agents, deeply analyzes the influence law of the molecular structure of chemical gas fire extinguishing agents on their application performance. Explore the quantitative structure-activity relationship between molecular structure and application performance, the prediction model of key performance parameters of gas fire extinguishing agents, and the molecular optimization technology, so as to achieve rapid targeted optimization of massive potential fire extinguishing agents and guide the efficient research and development of new chemical gas fire extinguishing agents with market application potential.

Key words: chemical gas fire extinguishing agents, molecular optimization, structure-activity relationship, prediction model