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Xingyi Guan — most-cited papers & profile · AI for Science
← authors
·
overview
Xingyi Guan
4
papers ·
3
citations ·
10
h-index
Pitzer College · University of California System · Center for Theoretical Physics · Schrodinger (United States)
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Most-cited papers
Learning to Make Chemical Predictions: the Interplay of Feature Representation, Data, and Machine Learning Algorithms
2020 · 2 citations
Beyond potential energy surface benchmarking: a complete application of machine learning to chemical reactivity
2023 · 1 citations
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design
2021
Deep Learning of ab initio Hessians for Transition State Optimization
2024
Top co-authors
Teresa Head-Gordon
· 4
Jie Li
· 2
Mojtaba Haghighatlari
· 2
Andrew S. Rosen
· 1
Anup Kumar
· 1
Chao Yang
· 1
Conor Parks
· 1
Dorian Bagni
· 1
Eric C.-Y. Yuan
· 1
Eric D. Hermes
· 1
Farnaz Heidar-Zadeh
· 1
Fiona L. Kearns
· 1
Topics
Chemistry
Drug Discovery
Physics ML
Materials
Medical AI
Protein Science