Predicting homopolymer and copolymer solubility through machine learning
Christopher D Stubbs, Yeonjoon Kim, Ethan C. Quinn, Raúl Pérez‐Soto, Eugene Y.‐X. Chen, Seonah Kim
Abstract
In this work, we report the development of multiple new machine learning (ML) models to accurately predict homopolymer/copolymer solubility over a diverse set of polymers & solvents, using explainable AI to provide polymer design recommendations.
Topics & Concepts
CopolymerSolubilityPolymer scienceMaterials sciencePolymer chemistryComputer scienceChemical engineeringChemistryPolymerOrganic chemistryComposite materialEngineeringMachine Learning in Materials ScienceAdvanced Polymer Synthesis and CharacterizationPolymer crystallization and properties