Two models for predicting the density of organic cocrystals composed of energetic organic cocrystals and general organic cocrystals containing nitro groups were obtained. Sixty organic cocrystals in which the ratio of component molecules is 1 : 1 were studied as the dataset. Model-I was based on the artificial neural network (ANN) to predict the density of the cocrystals, which used (six) input parameters of the component molecules.
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