Abstract: The basic principles of neural network and quantitative structure-property relationship（QSPR）study are introduced，and its application and advance in the prediction of flammability characteristics of compounds such as flash point，auto-ignition temperature，and flammability limits are reviewed. The advantages and disadvantages as well as the applicability of various prediction models for each property concerned are analyzed. Furthermore，the comparison of the neural network methods with the linear regression models，as well as the development of the neural network technique are studied. Meanwhile，the present situation and development trend of the study on design of training set，selection of molecule descriptors and validation of models are discussed. Further study of QSPR in the field of safety science is also proposed.