Raúl Díaz, Hongliang Xin. Knowledge graphs in heterogeneous catalysis: Recent advances and future opportunities[J]. 中国化学工程学报(英文版), 2025,84(8):179-189.
Raúl Díaz, Hongliang Xin. Knowledge graphs in heterogeneous catalysis: Recent advances and future opportunities[J]. Chinese Journal of Chemical Engineering, 2025, 84(8): 179-189.
Raúl Díaz, Hongliang Xin. Knowledge graphs in heterogeneous catalysis: Recent advances and future opportunities[J]. 中国化学工程学报(英文版), 2025,84(8):179-189.DOI: 10.1016/j.cjche.2025.06.008.
Raúl Díaz, Hongliang Xin. Knowledge graphs in heterogeneous catalysis: Recent advances and future opportunities[J]. Chinese Journal of Chemical Engineering, 2025, 84(8): 179-189.DOI: 10.1016/j.cjche.2025.06.008.
Knowledge graphs in heterogeneous catalysis: Recent advances and future opportunities
and scalable graph architectures range from a few thousand to over a million triples. We discuss state-of-the-art applications
such as catalyst recommendation systems and reaction mechanism discovery tools
and examine the major challenges
including data heterogeneity
ontology alignment
and long-term graph curation. We conclude that KGs
when combined with AI methods
hold significant promise for accelerating catalyst discovery and knowledge management
but progress depends on establishing community standards for ontology development and maintenance. This review provides a roadmap for researchers seeking to leverage KGs to advance heterogeneous catalysis research.
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Zhao Kai
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相关机构
School of Chemical Engineering and Technology, Xinjiang University
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