Hybrid, Interpretable Machine Learning for Thermodynamic Property Estimation using Grammar2vec for Molecular Representation
Vipul Mann, Karoline Dantas Brito, Rafiqul Gani, Venkat Venkatasubramanian
Topics & Concepts
InterpretabilityRepresentation (politics)Property (philosophy)Feature (linguistics)Benchmark (surveying)Artificial intelligenceGrammarComputer sciencePoint (geometry)Theoretical computer scienceString (physics)Boiling pointChemistryMachine learningMathematicsLinguisticsMathematical physicsPoliticsEpistemologyGeographyPhilosophyOrganic chemistryGeometryGeodesyPolitical scienceLawMachine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics