Molecular graph-based deep learning method for predicting multiple physical properties of alternative fuel components
Jinpeng Liu, Siyuan Gong, Hongwei Li, Guozhu Liu
Topics & Concepts
Boiling pointFlash pointArtificial neural networkGraphComputer scienceMean absolute percentage errorGraph isomorphismApproximation errorMean absolute errorMean squared errorArtificial intelligenceAlgorithmPattern recognition (psychology)MathematicsStatisticsThermodynamicsLine graphTheoretical computer sciencePhysicsComputational Drug Discovery MethodsMachine Learning in Materials ScienceThermal and Kinetic Analysis