Polymer informatics based on the quantitative structure-property relationship using a machine-learning framework for the physical properties of polymers in the ATHAS data bank
Kazuhiko Ishikiriyama
Topics & Concepts
PolymerPhysical propertyQuantitative structure–activity relationshipCrystallinityGlass transitionArtificial neural networkBiological systemAmorphous solidMaterials scienceMolecular descriptorHeat capacityMean squared errorMelting pointCharacterization (materials science)Computer scienceMachine learningThermodynamicsChemistryMathematicsNanotechnologyOrganic chemistryComposite materialStatisticsPhysicsBiologyMachine Learning in Materials ScienceComputational Drug Discovery MethodsThermal and Kinetic Analysis