Yuquan Li

5PUBLICATIONS
12CO-AUTHORS
Deep learningCheminformatics and quantitative structure-activity relationshipsContext learningChemical and thermal processes in energy and combustionEvolutionary computation
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Publications (5)

|Feb 14, 2026
A hierarchical interaction message net for accurate molecular property prediction.

Huiyang Hong, Xinkai Wu, Hongyu Sun

|Feb 03, 2026
Spectral Decomposition of Chemical Semantics for Activity Cliffs-Aware Molecular Property Prediction.

Chaoyang Xie, Junhu Xu, Guangyi Huang

|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

|Aug 26, 2024
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites.

Xiaorui Wang, Xiaodan Yin, Dejun Jiang

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