Xiaoqing Guan

6PUBLICATIONS
7CO-AUTHORS
Bioinformatic methods developmentFood engineeringToxicology (incl. clinical toxicology)Biomolecular modelling and designChemical thermodynamics and energetics
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Publications (6)

|Jul 14, 2026
Bayesian Uncertainty-Guided Fidelity Fusion for Bioactivity Prediction.

|May 11, 2026
HP-MoleQ: An Effective Predictive Model for High-Throughput Screening of Food-Derived Hepatoprotective Compounds.

|Dec 06, 2023
An Uncertainty-Guided Deep Learning Method Facilitates Rapid Screening of CYP3A4 Inhibitors.

Ruixuan Wang, Zhikang Liu, Jiahao Gong

|Oct 15, 2023
GeoDILI: A Robust and Interpretable Model for Drug-Induced Liver Injury Prediction Using Graph Neural Network-Based Molecular Geometric Representation.

Wenxuan Wu, Jiayu Qian, Changjie Liang

|Nov 27, 2019
Free Energy Calculations on the Water-Chain-Assisted and the Dehydration Mechanisms of Transmembrane Ion Permeation.

Xiaoqing Guan, Dong-Qing Wei, Dan Hu

|Jan 16, 2019
Free Energy Calculation of Transmembrane Ion Permeation: Sample with a Single Reaction Coordinate and Analysis along Transition Path.

Xiaoqing Guan, Dongqing Wei, Dan Hu

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Frequent Collaborators

2 joint publications

Dongqing Wei

2 joint publications

Dan Hu

2 joint publications

Guangbo Ge

2 joint publications

Qingping Zhou