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Works (5)

Targeted Molecular Generation With Latent Reinforcement Learning

2025-01-03 | Preprint
DOI: 10.26434/chemrxiv-2024-8k8gr-v2
Contributors: Ragy Haddad; Eleni Litsa; Zhen Liu; Xin Yu; Daniel Burkhardt; Govinda Bhisetti
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Accurate Ring Strain Energy Predictions with Machine Learning and Application in Strain-Promoted Reactions

2024-11-19 | Preprint
DOI: 10.26434/chemrxiv-2024-dtq6q
Contributors: Zhen Liu; Jessica Vinskus; Yue Fu; Peng Liu; Kevin Noonan; Olexandr Isayev
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The challenge of balancing model sensitivity and robustness in predicting yields: a benchmarking study of amide coupling reactions

Chemical Science
2023 | Journal article
DOI: 10.1039/D3SC03902A
Contributors: Zhen Liu; Yurii S. Moroz; Olexandr Isayev
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Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network Potentials

Journal of Chemical Information and Modeling
2022-11-28 | Journal article
DOI: 10.1021/acs.jcim.2c00817
Contributors: Zhen Liu; Tetiana Zubatiuk; Adrian Roitberg; Olexandr Isayev
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Bottom-Up Design: A Modular Golden Gate Assembly Platform of Yeast Plasmids for Simultaneous Secretion and Surface Display of Distinct FAP Fusion Proteins

ACS Synthetic Biology
2022-11-18 | Journal article
DOI: 10.1021/acssynbio.2c00283
Contributors: Christopher Szent-Gyorgyi; Lydia A. Perkins; Brigitte F. Schmidt; Zhen Liu; Marcel P. Bruchez; Robert van de Weerd
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Peer review (1 review for 1 publication/grant)

Review activity for Journal of chemical information and modeling. (1)
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