Selecting the Main Factors Influencing the Densities of Polynitroaromatic Compounds via Adaptive Gradient Boosting Algorithm
Zhao Feng-qi · Chinese Journal of Explosives and Propellants · 2011
The main factors affecting the densities of polynitroaromatic compounds(PNACs) were studied by using the adaptive gradient Boosting algorithm.The molecular structure describers(MSDs) are used as the input feature parameters.The MSDs affecting the densities of PNACs are chosen and the corresponding MSDs are given according to their relative degree of influencing.The relative error between the predicted values and literature ones of the densities of PNACs is within 10%.