Xiaorui Wang

20PUBLICATIONS
30CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsContext learningChemical and thermal processes in energy and combustionNeural networksPharmaceutical delivery technologies
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Publications (20)

|Jun 24, 2026
Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform.

|Dec 03, 2025
Enhancing kinase-inhibitor activity and selectivity prediction through contrastive learning.

Yanan Tian, Ruiqiang Lu, Xiaoqing Gong

|Nov 26, 2025
A virtual platform for automated hybrid organic-enzymatic synthesis planning.

Xiaorui Wang, Xiaodan Yin, Xujun Zhang

|Sep 17, 2025
Graph Neural Networks in Modern AI-Aided Drug Discovery.

Odin Zhang, Haitao Lin, Xujun Zhang

|Aug 25, 2025
PepBAN: A Deep Learning Framework with Bilinear Attention and Adversarial Learning for Peptide-Protein Interaction Prediction.

Shuaiyan Li, Xiaorui Wang, Yuchen Zhu

|Aug 01, 2025
HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model.

Jialu Wu, Yiheng Zhu, Xiaorui Wang

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Frequent Collaborators

18 joint publications

Tingjun Hou

10 joint publications

Chang-Yu Hsieh

9 joint publications

Yu Kang

5 joint publications

Huanxiang Liu