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Tongnan Yin on Muck Rack

Tongnan Yin

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Articles

AI-driven drug design for head and neck squamous cell carcinoma using GNN and structure-based simulations

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By Jiabin Xu, Shengshan Xu, Meirong Shan, Jiahang Li, Runze Jiang, Mengyao Li, Shenglong Li, Qian Guo, Tongnan Yin, Keshuang Wang
| Nature Verified
Abstract Head and neck squamous cell carcinoma (HNSCC) remains a major global health burden with limited targeted therapeutic options. Here we present an integrated artificial intelligence (AI)-driven drug discovery framework combining graph neural networks (GAT, GCN, AttentiveFP and GIN), classical machine learning models (Random Forest, XGBoost and SVM), and structure-based simulations to identify potential inhibitors associated with HNSCC.
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