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International Journal of Molecular Sciences|March 27, 2025
SST-ResNet: A Sequence and Structure Information Integration Model for Protein Property PredictionGuowei Zhou, Yanpeng Zhao, Song He, et al.Communications Biology|August 31, 2024
Deep active learning with high structural discriminability for molecular mutagenicity predictionHuiyan Xu, Yanpeng Zhao, Yixin Zhang, et al.Journal of Chemical Information and Modeling|December 15, 2025
SHIFT-DRP: Dynamic Multi-Scale Active Learning for Drug Response PredictionXintao Wang, Huiyan Xu, Yanpeng Zhao, et al.Journal of Chemical Information and Modeling|January 21, 2026
CompBind: Complex Guided Pretraining-Based Structure-Free Protein-Ligand Affinity PredictionDuoyun Yi, Yanpeng Zhao, Huiyan Xu, et al.International Journal of Molecular Sciences|September 14, 2024
A Point Cloud Graph Neural Network for Protein-Ligand Binding Site PredictionYanpeng Zhao, Song He, Yuting Xing, et al.Nature Communications|March 11, 2026
A meta learning and task adaptive approach for drug target affinity predictionMengxuan Wan, Yanpeng Zhao, Yixin Zhang, et al.Molecules (Basel, Switzerland)|April 14, 2026
A Multitask Active Learning Framework with Probabilistic Modeling for Multi-Species Acute Toxicity PredictionTianyu Han, Jingjing Wang, Yanpeng Zhao, et al.Environmental Science & Technology|September 25, 2025
Multiscale-Information-Embedded Universal Toxicity Prediction FrameworkLianlian Wu, Fanmeng Wang, Yixin Zhang, et al.Journal of Pharmaceutical Analysis|July 18, 2025
Identify drug-drug interactions via deep learning: A real world studyJingyang Li, Yanpeng Zhao, Zhenting Wang, et al.Journal of Chemical Information and Modeling|June 16, 2026
ToxiSpecies: Task-Aware Meta-Learning for Cross-Species Modeling of Acute Chemical Toxicity under Distribution ShiftCaiyun Zhao, Jing Wang, Xiaochen Bo, et al.Pageof 126