Machine learning-quantitative structure property relationship (ML-QSPR) method for fuel physicochemical properties prediction of multiple fuel types
Runzhao Li, J.M. Herreros, A. Tsolakis, Wenzhao Yang
Topics & Concepts
Quantitative structure–activity relationshipExtrapolationChemistryMolecular descriptorOverfittingApplicability domainDensity functional theoryBiological systemOrganic chemistryComputational chemistryMachine learningComputer scienceArtificial neural networkStereochemistryMathematicsMathematical analysisBiologyHeat transfer and supercritical fluidsThermal and Kinetic AnalysisBiodiesel Production and Applications