Accurate machine learning models based on small dataset of energetic materials through spatial matrix featurization methods
Chao Chen, Danyang Liu, Siyan Deng, Lixiang Zhong, Serene Hay Yee Chan, Shuzhou Li, Huey Hoon Hng
Topics & Concepts
PubChemMoleculeCrystal (programming language)Matrix (chemical analysis)Computer scienceEnthalpyBiological systemChemistryDatabaseMaterials scienceThermodynamicsPhysicsChromatographyOrganic chemistryBiologyProgramming languageEnergetic Materials and CombustionThermal and Kinetic AnalysisCrystallography and molecular interactions