Ziduo Yang

MGraphDTA: deep multiscale graph neural network for explainable drug–target binding affinity prediction

Ziduo Yang, Weihe Zhong, Lu Zhao et al. · Chemical Science · 2022 · 289 citations · Full text

Geometric Learning, Drug Target, Graph Representation Learning +19

Learning size-adaptive molecular substructures for explainable drug–drug interaction prediction by substructure-aware graph neural network

Ziduo Yang, Weihe Zhong, Qiujie Lv et al. · Chemical Science · 2022 · 100 citations · Full text

Graph Representation Learning, Machine Learning, Engineering +19

Geometric Interaction Graph Neural Network for Predicting Protein–Ligand Binding Affinities from 3D Structures (GIGN)

Ziduo Yang, Weihe Zhong, Qiujie Lv et al. · The Journal of Physical Chemistry Letters · 2023 · 94 citations

Engineering, Machine Learning, Molecular Biology +16

ML-DTI: Mutual Learning Mechanism for Interpretable Drug–Target Interaction Prediction

Ziduo Yang, Weihe Zhong, Lu Zhao et al. · The Journal of Physical Chemistry Letters · 2021 · 93 citations

Meta Learning With Graph Attention Networks for Low-Data Drug Discovery

Qiujie Lv, Guanxing Chen, Ziduo Yang et al. · IEEE Transactions on Neural Networks and Learning Systems · 2023 · 92 citations

Deep Neural Networks, Engineering, Graph Theory +15