The detonation heat prediction of nitrogen-containing compounds based on quantitative structure-activity relationship (QSAR) combined with random forest (RF)
Tingchao He, Weipeng Lai, Maogang Li, Yaozhou Feng, Yingzhe Liu, Tao Yu, Hongsheng Tang, Tianlong Zhang, Hua Li
Topics & Concepts
Quantitative structure–activity relationshipDetonationMolecular descriptorRandom forestBiological systemWaveletChemistryArtificial intelligenceComputer scienceExplosive materialOrganic chemistryBiologyStereochemistryEnergetic Materials and CombustionComputational Drug Discovery MethodsThermal and Kinetic Analysis