English Abstract

Extraction of Higher-order Structure Descriptor of Polymers for Describing Rubber Elasticity based on Data Science

Yoshifumi AMAMOTO
Graduate School of Social Data Science, Hitotsubashi University
Nippon Gomu Kyokaishi,(2024),97(10),313-319 General Review in Japanese

In the research development of polymer science based on AI or machine learning approach, the treatment of higher- order structure of polymers is essential, but often troublesome. The complex structure or high dimensional data should be reduced to low dimensional physical/feature values, which afford interpretability for human. This review describes higher-order structure descriptor of polymers for AI research development and its application for describing rubber elasticity based on data science.

Keywords: Structure-property Relationship, Data Science, Rubber Elasticity, Complex Network Science, Molecular Descriptor, Higher-order Structure, Materials Informatics