The possibilities of the application of Data Science Methods in predicting certain macroscopic properties have been examined in energetic compounds. Artificial neural networks, one of the most promising methods of Data Science, has been used for predicting detonation velocity based on a trained set comprising of a large data set containing 104 data points extracted from over 65 explosive compounds and compositions with diverse characteristics and properties. The utility of the method has been demonstrated through validation for over 37 explosive compounds again with diverse characteristics constituting to a data set of 74 data points. The usefulness and versatility of the method is clear as it exhibits similar predictive accuracy on comparison with the similar data derived from two other well-known empirical models. Such predictive capabilities will be a great tool for engineers and scientists working with high energetic explosives for quick and simple prediction of detonation velocity given the chemical composition and vice versa.