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Qiyuan Zhao

university of michigan

16H-index
81Paper Count
689Citation Count
Published Papers 27
Publication Date
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Nanoscale Direct-to-Biology Optimization of Cdk2 Inhibitors
errJournal of Medicinal Chemistry
IF6.8
err2026-04-09
err0
PREAI
errJames L. Douthwaite; Damian J. Houde; Eneida Pardo; Mark Moran; Jason Baird; Sophia R. Meyer; Babak Mahjour; Qiyuan Zhao; Jay F. Larrow; Yu-Pu Juang; Michael J. Holliday; Calvin Han; Brian Kelley; David Dunstan; Katelyn Billings; Mary M. Mader; Alexander M. Taylor; Jonathan Z. Sexton; Alessandro A. Boezio; Tim Cernak
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errSave
Teaching machines to blend electrolyte cocktails
errNature Machine Intelligence
IF23.9
err2026-01-28
err0
PREAI
errChenru Duan; Haojun Jia; Qiyuan Zhao
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errSave
A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials
errScientific Data
IF6.9
err2025-12-04
err0
errOAAI
errTaoyong Cui; Yonghong Han; Haojun Jia; Chenru Duan; Qiyuan Zhao
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errSave
Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models
errAdvanced Science
IF14.1
err2025-07-13
err0
errOAAI
errQiyuan Zhao; Yunhong Han; Duo Zhang; Jiaxu Wang; Peichen Zhong; Taoyong Cui; Bangchen Yin; Yirui Cao; Haojun Jia; Chenru Duan
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Elucidating the antiviral effects of a novel compound throat anti-viral through metabolomics and network pharmacology: A study on infectious bronchitis virus in poultry
errPOULTRY SCIENCE
IF4.2
err2025-05-01
err0
errOAAI
errLiu, Huixin; Wei, Xiaofang; He, Yang; Pan, Sijia; Wang, Chenchen; Cheng, Junze; Zhao, Qiyuan; Shi, Kaichuang; Si, Hongbin
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errSave
Reductive Doping Inhibits the Formation of Isomerization-Derived Structural Defects in N-doped Poly(benzodifurandione) (n-PBDF)
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-03-27
err4
errOAAI
errHwang, Jinhyo; Zhao, Qiyuan; Ahmed, Mustafa; Yakisan, Alexander C.; Espenship, Michael F.; Laskin, Julia; Savoie, Brett M.; Mei, Jianguo
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errSave
Deductive machine learning models for product identification
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errJin, Tianfan; Zhao, Qiyuan; Schofield, Andrew B.; Savoie, Brett M.
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errSave
Machine learning of stability scores from kinetic data
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errSingla, Veerupaksh; Zhao, Qiyuan; Savoie, Brett M.
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errSave
Deep reaction network exploration of glucose pyrolysis
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2023-08-14
err4
errOAAI
errZhao, Qiyuan; Savoie, Brett M.
errShare
errSave
Thermally Accessible Prebiotic Pathways for Forming Ribonucleic Acid and Protein Precursors from Aqueous Hydrogen Cyanide
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-03-08
err7
PREAI
errZhao, Qiyuan; Garimella, Sanjay S.; Savoie, Brett M.
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errSave
Δ2 machine learning for reaction property prediction
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err7
errOAAI
errZhao, Qiyuan; Anstine, Dylan M.; Isayev, Olexandr; Savoie, Brett M.
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errSave
Algorithmic Explorations of Unimolecular and Bimolecular Reaction Spaces
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2022-10-17
err10
errOAAI
errZhao, Qiyuan; Savoie, Brett M.
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errSave
Deep reaction network exploration at a heterogeneous catalytic interface
errNATURE COMMUNICATIONS
IF15.7
err2022-08-18
err17
errOAAI
errZhao, Qiyuan; Xu, Yinan; Greeley, Jeffrey; Savoie, Brett M.
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errSave
Conformational Sampling for Transition State Searches on a Computational Budget
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-04-11
err24
PREAI
errZhao, Qiyuan; Hsu, Hsuan-Hao; Savoie, Brett M.
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errSave
Topology Automated Force-Field Interactions (TAFFI): A Framework for Developing Transferable Force Fields
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-09-17
err18
PREAI
errSeo, Bumjoon; Lin, Zih-Yu; Zhao, Qiyuan; Webb, Michael A.; Savoie, Brett M.
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errSave
Simultaneously improving reaction coverage and computational cost in automated reaction prediction tasks
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2021-07-22
err40
PREAI
errZhao, Qiyuan; Savoie, Brett M.
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errSave
Transferable Ring Corrections for Predicting Enthalpy of Formation of Cyclic Compounds
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-05-25
err6
PREAI
errZhao, Qiyuan; Iovanac, Nicolae C.; Savoie, Brett M.
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errSave
Synthesis and evaluation of new compounds bearing 3-(4-aminopiperidin-1-yl)methyl magnolol scaffold as anticancer agents for the treatment of non-small cell lung cancer via targeting autophagy
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2021-01-01
err23
PREAI
errZhao, Min; Zheng, Yun-Hua; Zhao, Qi-Yuan; Zheng, Wei; Yang, Jian-Hong; Pei, He-Ying; Liu, Ling; Liu, Kong-Jun; Xue, Lin-Lin; Deng, De-Xin; Wang, Lun; Ma, Xu; Fu, Su-Hong; Peng, Ai-Hua; Tang, Ming-Hai; Luo, Yun-Zi; Ye, Hao-Yu; Chen, Li-Juan
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errSave
Improved CRISPR-Cas12a-assisted one-pot DNA editing method enables seamless DNA editing (vol 116, pg 1463, 2020)
errBIOTECHNOLOGY AND BIOENGINEERING
IF3.6
err2020-08-13
err0
errOAAI
errWang, Liping; Wang, Haojun; Liu, Huayi; Zhao, Qiyuan; Liu, Bing; Wang, Lian; Zhang, Jun; Zhu, Jie; Bao, Rui; Luo, Yunzi
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errSave
Self-Consistent Component Increment Theory for Predicting Enthalpy of Formation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-03-11
err13
PREAI
errZhao, Qiyuan; Savoie, Brett M.
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errSave

Research Directions

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Co-authors
Cooperation Journals
刘建军 cover
刘建军 (Jianjun Liu)
H-index: 131 · Papers: 2.6K
李晓刚 cover
李晓刚 (Xiaogang Li)
H-index: 122 · Papers: 3.2K
J
Jan H. Veldink
H-index: 106 · Papers: 566
A
Ammar Al‐Chalabi
H-index: 101 · Papers: 639
P
Peter M. Andersen
H-index: 91 · Papers: 407
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