Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

Kevlishvili, Ilia; St. Michel, Roland G.; Garrison, Aaron G.; Toney, Jacob W.; Adamji, Husain; Jia, Haojun; Román-Leshkov, Yuriy; Kulik, Heather J.

doi:10.1039/d4fd00087k

Faraday Discuss.

2025

DOI: 10.1039/d4fd00087k

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Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

Ilia Kevlishvili,

Roland G. St. Michel,

Aaron G. Garrison

et al.

Abstract: The breadth of transition metal chemical space covered by databases such as the Cambridge Structural Database and the derived computational database tmQM is not conducive to application-specific modeling and the...

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Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

Abstract: The breadth of transition metal chemical space covered by databases such as the Cambridge Structural Database and the derived computational database tmQM is not conducive to application-specific modeling and the...

Cited by 0 publications

References 98 publications

No citations

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