QSPR Study for Estimation of Density of Some Aromatic Explosives by Multiple Linear Regression Approach

@inproceedings{Luan2010QSPRSF,
  title={QSPR Study for Estimation of Density of Some Aromatic Explosives by Multiple Linear Regression Approach},
  author={Feng Luan and Huitao Liu and Yingying Wen and Qingzhong Li and Xiaoyun Zhang and Jiazhong Sun},
  year={2010}
}
A quantitative structure-property relationship (QSPR) model was proposed on the basis of the molecular structure of 43 aromatic explosives and their density. The best linear model composed of five molecular descriptors which were selected from 522 constitutional, geometrical, topological, and quantum-mechanical types of descriptors. Statistical characteristics of the multiple linear model (R2=0.892, F=60.95, RMS=0.0539, AARD=2.41%) indicated satisfactory stability and predictive ability. The… CONTINUE READING