An Su

14PUBLICATIONS
23CO-AUTHORS
Process control and simulationCatalysis and mechanisms of reactionsBioassaysEvolutionary computationBiomolecular modelling and design
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Publications (14)

|Jul 27, 2026
Unveiling the Structural Determinants of PFAS Toxicity: A Graph Neural Network and Interpretability Analysis.

|Jan 21, 2026
An artificial intelligence-driven synthesis planning platform (PhotoCat) for photocatalysis.

Jiangcheng Xu, Silong Zhai, Panyi Huang

|Nov 13, 2025
Highly selective and AI-predictable Se-N exchange chemistry between benzoselenazolones and boronic acids for programmable, parallel, and DNA-encoded library synthesis.

Wei Zhou, Yan Wang, Shuning Zhang

|Aug 01, 2025
ChemReactSeek: an artificial intelligence-guided chemical reaction protocol design using retrieval-augmented large language models.

Ziyang Gong, Chengwei Zhang, Danyang Song

|Jun 11, 2025
CycleDesigner: Leveraging CycRFdiffusion and HighFold to Design Cyclic Peptide Binders for Specific Targets.

Chenhao Zhang, Zhenyu Xu, Kang Lin

|Apr 21, 2025
NCPepFold: Accurate Prediction of Noncanonical Cyclic Peptide Structures via Cyclization Optimization with Multigranular Representation.

Qingyi Mao, Tianfeng Shang, Wen Xu

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Frequent Collaborators

3 joint publications

Hongliang Duan

2 joint publications

Krishna Rajan

2 joint publications

Weike Su

2 joint publications

Yun-Fang Yang