Boxue Tian

15PUBLICATIONS
30CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designTranslational and applied bioinformaticsComputational modelling and simulation in earth sciencesCancer diagnosis
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Publications (15)

|Jul 20, 2026
CYPMol: A Single Model Framework Integrating Functional Residues with Protein Features and Molecule Embeddings to Predict CYP Substrates, Inhibitors, and Metabolism Sites.

|Jun 30, 2026
Improving the accuracy and generalizability of molecular property regression models with a substructure-substitution-rule-informed framework.

|Feb 05, 2026
Automatically Defining Protein Words for Diverse Functional Predictions Based on Attention Analysis of a Protein Language Model.

Hedi Chen, Jingrui Zhong, Xiaochun Zhang

|Feb 27, 2025
GLMCyp: A Deep Learning-Based Method for CYP450-Mediated Reaction Site Prediction.

Xuhai Huang, Jiamin Chang, Boxue Tian

|Feb 25, 2025
SynthMol: A Drug Safety Prediction Framework Integrating Graph Attention and Molecular Descriptors into Pre-Trained Geometric Models.

Zidong Su, Rong Zhang, Xiaoyu Fan

|Nov 11, 2024
EvoAI enables extreme compression and reconstruction of the protein sequence space.

Ziyuan Ma, Wenjie Li, Yunhao Shen

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Frequent Collaborators

3 joint publications

Xiaochun Zhang

1 joint publications

Guang-Ming Ren

1 joint publications

Xuan-Yi Zhang

1 joint publications

Xian Liu