Oct 2026
From Semiempirical Descriptors to Catalyst Discovery: Interpretable Machine Learning for Ethylene Polymerization
The discovery of high-performance ethylene polymerization catalysts remains challenging because catalytic behavior is governed by a complex interplay between ligand structure, conformational flexibility, and reaction conditions. Herein, we present a data-driven framework for catalyst discovery that integrates semiemp...
You-Cai Zhu, Yue Mu, Yong-Qing Li et al.
· ACS Catalysis · 0 citations