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Updated: Sep 2, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Published on: April 10, 2018

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机器学习产量预测来自NiCOlit,一个小尺寸文献数据集的催化C-O合

Jules Schleinitz1, Maxime Langevin2,3, Yanis Smail4

  • 1LBM, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France.

Journal of the American Chemical Society
|August 8, 2022
PubMed
概括

预测合成反应产量是公布数据的挑战. 整合优化细节和化学知识可以提高机器学习模型的预测,即使数据有限.

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