Publications by authors named "Rebekah Duke"

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Evaluating Molecular Similarity Measures: Do Similarity Measures Reflect Electronic Structure Properties?
Rebekah Duke, Chih-Hsuan Yang, Baskar Ganapathysubramanian, Chad Risko

J Chem Inf Model· May 2025

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Promises and Perils of Big Data: Philosophical Constraints on Chemical Ontologies.
Rebekah Duke, Ryan McCoy, Chad Risko, Julia R S Bursten

J Am Chem Soc· May 2024

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Hydrogen-Bonding Trends in a Bithiophene with 3- and/or 4-Pyridyl Substituents.
Alison M Costello, Rebekah Duke, Stephanie Sorensen, Nadeesha L Kothalawala, Moses Ogbaje

ACS Omega· July 2023

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Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches.
Vinayak Bhat, Parker Sornberger, Balaji Sesha Sarath Pokuri, Rebekah Duke, Baskar Ganapathysubramanian

Chem Sci· December 2022

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Data storage architectures to accelerate chemical discovery: data accessibility for individual laboratories and the community.
Rebekah Duke, Vinayak Bhat, Chad Risko

Chem Sci· November 2022

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