Yanfei Guan

ORCID

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 7

Top Venues

Chemical science

Nature communications

Scientific data

Journal of chemical information and modeling

Massachusetts Institute of Technology

Texas A&M University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Massachusetts Institute of Technology

United States

Postdoc :: Chemical Engineering

Colorado State University

United States

Postdoc :: Chemistry

Schrodinger LLC New York Office

United States

Developer Internship :: Jaguar Development Team

Education History

Texas A&M University

United States

PHD :: Chemistry

Shanghai Jiao Tong University

China

BSC :: Mathematics

Shanghai Jiao Tong University

China

BSC :: Chemistry

Publications

Yanfei Guan, Taegyo Lee, Ke Wang, Shu Yu, James Christopher McWilliams
S N Ar Regioselectivity Predictions: Machine Learning Triggering DFT Reaction Modeling through Statistical Threshold. Journal of chemical information and modeling (2023)
Yanfei Guan, Shree Sowndarya S V, Liliana C Gallegos, Peter C St John, Robert S Paton
Real-time prediction of 1H and 13C chemical shifts with DFT accuracy using a 3D graph neural network. Chemical science 12 (36) (2021)
Peter C St John, Yanfei Guan, Yeonjoon Kim, Brian D Etz, Seonah Kim, Robert S Paton
Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules. Scientific data 7 (1) (2020)
Peter C St John, Yanfei Guan, Yeonjoon Kim, Seonah Kim, Robert S Paton
Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost. Nature communications 11 (1) (2020)
Peter C St John, Yanfei Guan, Yeonjoon Kim, Seonah Kim, Robert S Paton
Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost. Nature communications 11 (1) (2020)
Yanfei Guan, Connor W Coley, Haoyang Wu, Duminda Ranasinghe, Esther Heid, Thomas J Struble, Lagnajit Pattanaik, William H Green, Klavs F Jensen
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors. Chemical science 12 (6) (2020)
Yiming Mo, Yanfei Guan, Pritha Verma, Jiang Guo, Mike E Fortunato, Zhaohong Lu, Connor W Coley, Klavs F Jensen
Evaluating and clustering retrosynthesis pathways with learned strategy. Chemical science 12 (4) (2020)

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Publication Activity (10 Years)

Top Topics

Top Venues

Yanfei Guan