Xuyang Liu

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 7

Top Topics

Artificial Intelligence

Depressive Symptoms

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

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

Publications

Hongle An, Xuyang Liu, Wensheng Cai, Xueguang Shao
AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural Network and Molecular Topology. Journal of chemical information and modeling (2024)
Xuyang Liu, Jingya Xing, Haohao Fu, Xueguang Shao, Wensheng Cai
Analyzing Molecular Dynamics Trajectories Thermodynamically through Artificial Intelligence. Journal of chemical theory and computation 20 (2) (2024)
Xuyang Liu, Jingya Xing, Haohao Fu, Xueguang Shao, Wensheng Cai
Analyzing Molecular Dynamics Trajectories Thermodynamically through Artificial Intelligence. Journal of chemical theory and computation (2024)
Xuyang Liu, Jingya Xing, Haohao Fu, Xueguang Shao, Wensheng Cai
Analyzing Molecular Dynamics Trajectories Thermodynamically through Artificial Intelligence. Journal of chemical theory and computation 20 (2) (2024)
Hongle An, Xuyang Liu, Wensheng Cai, Xueguang Shao
AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural Network and Molecular Topology. Journal of chemical information and modeling 64 (14) (2024)
Chaoshu Duan, Xuyang Liu, Wensheng Cai, Xueguang Shao
Interpretable Perturbator for Variable Selection in near-Infrared Spectral Analysis. Journal of chemical information and modeling (2023)
Hongle An, Xuyang Liu, Wensheng Cai, Xueguang Shao
Explainable Graph Neural Networks with Data Augmentation for Predicting p K a of C-H Acids. Journal of chemical information and modeling (2023)