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Development of Pd-immobilized porous polymer catalysts via Bayesian optimization

  • Xincheng Zhou,
  • Hikaru Matsumoto,
  • Masanori Nagao,
  • Shuji Hironaka,
  • Yoshiko Miura

摘要

In this study, a Pd-polymeric porous immobilized catalyst is prepared for the Suzuki–Miyaura coupling reactions by employing a Bayesian optimization method to optimize the catalyst. This research represents the first endeavor to utilize machine learning for the optimization of polymer-immobilized catalysts and provides a novel perspective on utilizing machine learning for the optimization of complex materials.