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Yuriy S. Moroz

3 results in Authors: Yuriy S. Moroz

Physical Chemistry

The Challenge of Balancing Model Sensitivity and Robustness in Predicting Yields: A Benchmarking Study of Amide Coupling Reactions

Zhen Liu, Yurii S. Moroz, Olexandr Isayev

Version 1 posted 28 July 2023

511

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Theoretical and Computational Chemistry

A Bag of Tricks for Automated De Novo Design of Molecules with the Desired Properties: Application to EGFR Inhibitor Discovery

Maria Korshunova, Niles Huang, Stephen Capuzzi, Dmytro S. Radchenko, Olena Savych, Yuriy S. Moroz, Carrow Wells, Timothy M. Willson, Alexander Tropsha, Olexandr Isayev

Version 1 posted 24 February 2021

1,175

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4

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Theoretical and Computational Chemistry

Synthetically Accessible Virtual Inventory (SAVI)

Hitesh Patel, Wolf Ihlenfeldt, Philip Judson, Yurii S. Moroz, Yuri Pevzner, Megan Peach, Nadya Tarasova, Marc Nicklaus

Version 1 posted 27 April 2020

1,010

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3

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