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Theoretical and Computational Chemistry

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Steven Kearnes

2 results in Authors: Steven Kearnes

Theoretical and Computational Chemistry

Identification of Potential SARS-CoV-2 Inhibitors Using Flexible Docking Based Drug Repurposing of Antivirals

Luke Warrensford, Amanda Pittman, Fiona Kearns, Jordan Hale, Kira Astronskas, Steven Austin, Ryan Young, Louise Allcock, Sarah Dietrick, Bill Baker, Henry Lee Woodcock

Version 1 posted 09 May 2022

366

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Theoretical and Computational Chemistry

Comparing Massively-Multitask Regression Algorithms for Drug Discovery

Eric Martin, Xiang-Wei Zhu, Patrick Riley, Steven Kearnes, Ekaterina A Sosnina, Li Tian, Zijian Wang, Ying Wei, Thomas M Whitehead, Gareth J Conduit, Matthew D Segall

Version 2 posted 14 March 2025

194

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