Prediction of direct chemiluminescence behavior of organic compounds in liquid phase based on QSPR method

Based on the quantitative structure–property relationship study, molecular topological index was used to construct a discriminate function of chemiluminescence with linear discriminant analysis. The proposed discriminate function was applied to theoretically predict the chemiluminescence behavior of 256 organic compounds when reacted with common oxidant in liquid phase with a success probability of higher than 94.5%. The present work would give an idea to quickly develop a suitable direct chemiluminescent analytical method in a very simple way.