Yadong Chen

According to our database, Yadong Chen authored at least 21 papers between 2011 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

MTGNN: A Drug-Target-Disease Triplet Association Prediction Model Based on Multimodal Heterogeneous Graph Neural Networks and Direction-Aware Metapaths.

Lidan Zheng, Simeng Zhang, Yihao Li, Yang Liu, Qian Ge, Lingxi Gu, Yu Xie, Xiao Wang, Yunfei Ma, Junfei Liu, Mengyi Lu, Yadong Chen, Yong Zhu, Haichun Liu

J. Chem. Inf. Model., 2025

CGPDTA: An Explainable Transfer Learning-Based Predictor With Molecule Substructure Graph for Drug-Target Binding Affinity.

Qing Fan, Yingxu Liu, Simeng Zhang, Xiangzhen Ning, Chengcheng Xu, Weijie Han, Yanmin Zhang, Yadong Chen, Jun Shen, Haichun Liu

J. Comput. Chem., 2025

2024

Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein-Ligand Interactions.

Xiaohe Xu, Weijie Han, Xiangzhen Ning, Chengdong Zang, Chengcheng Xu, Chen Zeng, Chengtao Pu, Yanmin Zhang, Yadong Chen, Haichun Liu

J. Chem. Inf. Model., March, 2024

Prediction of Human Liver Microsome Clearance with Chirality-Focused Graph Neural Networks.

Chengtao Pu, Lingxi Gu, Yuxuan Hu, Weijie Han, Xiaohe Xu, Haichun Liu, Yadong Chen, Yanmin Zhang

J. Chem. Inf. Model., 2024

CPIScore: A Deep Learning Approach for Rapid Scoring and Interpretation of Protein-Ligand Binding Interactions.

Li Liang, Yunxin Duan, Chen Zeng, Boheng Wan, Huifeng Yao, Haichun Liu, Tao Lu, Yanmin Zhang, Yadong Chen, Jun Shen

J. Chem. Inf. Model., 2024

TD-GPT: Target Protein-Specific Drug Molecule Generation GPT.

Zhengda He, Linjie Chen, Jiaying Xu, Hao Lv, Rui-ning Zhou, Jianhua Hu, Yadong Chen, Yang Gao

Proceedings of the IEEE International Conference on Acoustics, 2024

2023

RPBP: Deep Retrosynthesis Reaction Prediction Based on Byproducts.

Yingchao Yan, Yang Zhao, Huifeng Yao, Jie Feng, Li Liang, Weijie Han, Xiaohe Xu, Chengtao Pu, Chengdong Zang, Lingfeng Chen, Yuanyuan Li, Haichun Liu, Tao Lu, Yadong Chen, Yanmin Zhang

J. Chem. Inf. Model., October, 2023

An Interpretable Multitask Framework BiLAT Enables Accurate Prediction of Cyclin-Dependent Protein Kinase Inhibitors.

Xu Qian, Xiaowen Dai, Lin Luo, Mingde Lin, Yuan Xu, Yang Zhao, Dingfang Huang, Haodi Qiu, Li Liang, Haichun Liu, Yingbo Liu, Lingxi Gu, Tao Lu, Yadong Chen, Yanmin Zhang

J. Chem. Inf. Model., June, 2023

EEG Convolutional Sparse Transformer for Epilepsy Detection and Related Drug Classification.

Zhengda He, Linjie Chen, Hao Lv, Rui-ning Zhou, Jiaying Xu, Yadong Chen, Jianhua Hu, Yang Gao

Proceedings of the Advanced Intelligent Computing Technology and Applications, 2023

A Novel Descriptor and Molecular Graph-Based Bimodal Contrastive Learning Framework for Drug Molecular Property Prediction.

Zhengda He, Linjie Chen, Hao Lv, Rui-ning Zhou, Jiaying Xu, Yadong Chen, Jianhua Hu, Yang Gao

Proceedings of the Advanced Intelligent Computing Technology and Applications, 2023

2022

Effective Reaction-Based <i>De Novo</i> Strategy for Kinase Targets: A Case Study on MERTK Inhibitors.

Yi Hua, Xiaobao Fang, Guomeng Xing, Yuan Xu, Li Liang, Chenglong Deng, Xiaowen Dai, Haichun Liu, Tao Lu, Yanmin Zhang, Yadong Chen

J. Chem. Inf. Model., 2022

KID: A Kinase-Focused Interaction Database and Its Application in the Construction of Kinase-Focused Molecule Databases.

Xiaowen Dai, Yuan Xu, Haodi Qiu, Xu Qian, Mingde Lin, Lin Luo, Yang Zhao, Dingfang Huang, Yanmin Zhang, Yadong Chen, Haichun Liu, Yulei Jiang

J. Chem. Inf. Model., 2022

2020

In Silico Design and Analysis of a Kinase-Focused Combinatorial Library Considering Diversity and Quality.

Yan Yang, Yanmin Zhang, Yi Hua, Xingye Chen, Yuanrong Fan, Yuchen Wang, Li Liang, Chenglong Deng, Tao Lu, Yadong Chen, Haichun Liu

J. Chem. Inf. Model., 2020

Discovery of Dual FGFR4 and EGFR Inhibitors by Machine Learning and Biological Evaluation.

Xingye Chen, Wuchen Xie, Yan Yang, Yi Hua, Guomeng Xing, Li Liang, Chenglong Deng, Yuchen Wang, Yuanrong Fan, Haichun Liu, Tao Lu, Yadong Chen, Yanmin Zhang

J. Chem. Inf. Model., 2020

2019

In Silico Prediction of Human Intravenous Pharmacokinetic Parameters with Improved Accuracy.

Yuchen Wang, Haichun Liu, Yuanrong Fan, Xingye Chen, Yan Yang, Lu Zhu, Junnan Zhao, Yadong Chen, Yanmin Zhang

J. Chem. Inf. Model., 2019

Investigation of Crystal Structures in Structure-Based Virtual Screening for Protein Kinase Inhibitors.

Xingye Chen, Haichun Liu, Wuchen Xie, Yan Yang, Yuchen Wang, Yuanrong Fan, Yi Hua, Lu Zhu, Junnan Zhao, Tao Lu, Yadong Chen, Yanmin Zhang

J. Chem. Inf. Model., 2019

2017

Potent Pan-Raf and Receptor Tyrosine Kinase Inhibitors Based on a Cyclopropyl Formamide Fragment Overcome Resistance.

Yanmin Zhang, Lu Wang, Qing Zhang, Gaoyuan Zhu, Zhimin Zhang, Xiang Zhou, Yadong Chen, Tao Lu, Weifang Tang

J. Chem. Inf. Model., June, 2017

2014

Molecular Modeling of Exquisitely Selective c-Met Inhibitors through 3D-QSAR and Molecular Dynamics Simulations.

Haoliang Yuan, Jin Zhuang, Shihe Hu, Huifang Li, Jinxing Xu, Yaning Hu, Xiao Xiong, Yadong Chen, Tao Lu

J. Chem. Inf. Model., 2014

2013

An Integrated Virtual Screening Approach for VEGFR-2 Inhibitors.

Yanmin Zhang, Shangyan Yang, Yu Jiao, Haichun Liu, Haoliang Yuan, Shuai Lu, Ting Ran, Sihui Yao, Zhipeng Ke, Jinxing Xu, Xiao Xiong, Yadong Chen, Tao Lu

J. Chem. Inf. Model., 2013

Fragment-based strategy for structural optimization in combination with 3D-QSAR.

Haoliang Yuan, Wenting Tai, Shihe Hu, Haichun Liu, Yanmin Zhang, Sihui Yao, Ting Ran, Shuai Lu, Zhipeng Ke, Xiao Xiong, Jinxing Xu, Yadong Chen, Tao Lu

J. Comput. Aided Mol. Des., 2013

2011

Novel Strategy for Three-Dimensional Fragment-Based Lead Discovery.

Haoliang Yuan, Tao Lu, Ting Ran, Haichun Liu, Shuai Lu, Wenting Tai, Ying Leng, Weiwei Zhang, Jian Wang, Yadong Chen

J. Chem. Inf. Model., 2011