Yuhui Hong

6PUBLICATIONS
28CO-AUTHORS
Deep learningComputational chemistryAdversarial machine learningMedical bacteriologyCheminformatics and quantitative structure-activity relationships
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Publications (6)

|Jul 03, 2026
Agentic AI for Structural Elucidation and Discovery of Drug Metabolites from Mass Spectrometry Data.

|Dec 12, 2025
FIDDLE: a deep learning method for chemical formulas prediction from tandem mass spectra.

Yuhui Hong, Sujun Li, Yuzhen Ye

|Nov 11, 2025
Koina: Democratizing machine learning for proteomics research.

Ludwig Lautenbacher, Kevin L Yang, Tobias Kockmann

|Dec 30, 2024
Multitask knowledge-primed neural network for predicting missing metadata and host phenotype based on human microbiome.

Mahsa Monshizadeh, Yuhui Hong, Yuzhen Ye

|Feb 03, 2024
Enhanced Structure-Based Prediction of Chiral Stationary Phases for Chromatographic Enantioseparation from 3D Molecular Conformations.

Yuhui Hong, Christopher J Welch, Patrick Piras

|May 30, 2023
3DMolMS: prediction of tandem mass spectra from 3D molecular conformations.

Yuhui Hong, Sujun Li, Christopher J Welch

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Frequent Collaborators

2 joint publications

Yuzhen Ye

2 joint publications

Mingxun Wang

2 joint publications

Haixu Tang

1 joint publications

Christopher J Welch