Prediction of density of energetic cocrystals based on QSPR modeling using artificial neural network

Among the most important factors affecting the destructive power of explosive materials is density. In order to correlate the molecular structure of energetic cocrystals (ECs) with their density (ρ), a quantitative structure-property relationship (QSPR) study was undertaken. An artificial neural network (ANN) model was developed to predict the density of cocrystals by using three out of more than 1600 molecular descriptors, computed by Dragon...