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Thomas Struble

3 results in Authors: Thomas Struble

Roadmap to Pharmaceutically Relevant Reactivity Models Leveraging High-Throughput Experimentation

Jessica Xu, Dipannita Kalyani, Thomas Struble, Spencer Dreher, Shane Krska, Stephen L. Buchwald, Klavs F. Jensen

Version 1 posted 19 September 2022

2,967

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13

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Theoretical and Computational Chemistry

Multitask Prediction of Site Selectivity in Aromatic C-H Functionalization Reactions

Thomas J. Struble, Connor W. Coley, Klavs F. Jensen

Version 1 posted 28 August 2019

1,234

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1

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Theoretical and Computational Chemistry

Regio-Selectivity Prediction with a Machine-Learned Reaction Representation and On-the-Fly Quantum Mechanical Descriptors

Yanfei Guan, Connor Coley, Haoyang wu, Duminda Ranasinghe, esther heid, Thomas J. Struble, Lagnajit Pattanaik, William H. Green, Klavs F. Jensen

Version 1 posted 03 September 2020

1,360

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1

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