A review on the application of molecular descriptors and machine learning in polymer design
Yuankai Zhao, Roger J. Mulder, Shadi Houshyar, Tu C. Le
Abstract
Molecular descriptors and machine learning are useful tools for extracting structure–property relationships from large, complex polymer data, and accelerating the design of novel polymers with tailored functionalities.
Topics & Concepts
PolymerComputer scienceProperty (philosophy)Artificial intelligenceMachine learningMaterials scienceComposite materialPhilosophyEpistemologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceVarious Chemistry Research Topics