There is huge scope for the implementation of sustainable methods in the research of new energetic materials. It is certainly one of the most important aspects which must be considered and implemented in current and future modern scientific research. Not only would it decrease the waste production and the profusion of chemicals, but it would also save a lot of time, meaning that the progress humanity makes in a certain research field is speeded up. The synthesis of energetic materials is associated with considerable risks – especially when synthesizing a new explosive with unknown sensitivity and strength. Therefore decreasing the amount of practical work in this field would also increase the safety of scientists. There are a number of ways this can be achieved, and with the development of the computer program “Research output software for energetic materials based on observational modelling/ machine learning” (RoseBoom©) it is hoped that the development of new modern energetic materials will be advanced, since it aims to provide access to quick and easy prediction methods which will indicate performance parameters only based on the structural formula– before they have been synthesized.