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tmQM-RDF Data Set: A Knowledge Graph Representing Transition Metal Complexes

Luca Cibinel1,2, Trond Linjordet3,4, Johan Pensar1,2

  • 1Integreat─Norwegian Centre for Knowledge-driven Machine Learning, 0851 Oslo, Norway.

Journal of Chemical Information and Modeling
|June 24, 2026
PubMed
Summary

A new dataset, transition metal quantum mechanics RDF (tmQM-RDF), offers detailed descriptions of 60,000 transition metal complexes. This knowledge graph aids machine learning in chemistry, facilitating the study of these valuable compounds.

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