Jul 2026
Data-Driven Exploration of the Polyethylene Catalyst Chemical Space via Machine Learning.
A data-driven framework combining explainable machine learning (ML) with large-scale virtual library generation with large-scale virtual library generation is presented, establishing a practical route from experimental data to actionable catalyst designs.
Xuefeng Li, Haoke Qiu, Hanwen Pei et al.
· Journal of Physical Chemistr... · 0 citations