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Proceedings of the National Academy of Sciences of the United States of America
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October 6, 2025
Graph neural networks for predicting metal-ligand coordination of transition metal complexes
Jacob W Toney, Roland G St Michel, Aaron G Garrison, et al.
Journal of the American Chemical Society
|
December 16, 2025
Identifying Dynamic Metal-Ligand Coordination Modes with Ensemble Learning
Jacob W Toney, Roland G St Michel, Aaron G Garrison, et al.
Faraday Discussions
|
September 20, 2024
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.
Journal of Chemical Information and Modeling
|
February 25, 2026
molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry
Gianmarco G Terrones, Roland G St Michel, Jacob W Toney, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Proceedings of the National Academy of Sciences of the United States of America
|
October 6, 2025
Graph neural networks for predicting metal-ligand coordination of transition metal complexes
Jacob W Toney, Roland G St Michel, Aaron G Garrison, et al.
Journal of the American Chemical Society
|
December 16, 2025
Identifying Dynamic Metal-Ligand Coordination Modes with Ensemble Learning
Jacob W Toney, Roland G St Michel, Aaron G Garrison, et al.
Faraday Discussions
|
September 20, 2024
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.
Journal of Chemical Information and Modeling
|
February 25, 2026
molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry
Gianmarco G Terrones, Roland G St Michel, Jacob W Toney, et al.
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of 1