Jacob W Toney

4PUBLICATIONS
16CO-AUTHORS
Formal methods for softwareMain group metal chemistryCheminformatics and quantitative structure-activity relationshipsResources engineering and extractive metallurgy not elsewhere classified
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Publications (4)

|Feb 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

|Dec 16, 2025
Identifying Dynamic Metal-Ligand Coordination Modes with Ensemble Learning.

Jacob W Toney, Roland G St Michel, Aaron G Garrison

|Oct 06, 2025
Graph neural networks for predicting metal-ligand coordination of transition metal complexes.

Jacob W Toney, Roland G St Michel, Aaron G Garrison

|Sep 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

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Frequent Collaborators

4 joint publications

Heather J Kulik

3 joint publications

Roland G St Michel

3 joint publications

Aaron G Garrison

2 joint publications

Ilia Kevlishvili