Publications by authors named "Yaowen Gu"

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Bioactivity Deep Learning for Complex Structure-Free Compound-Protein Interaction Prediction.
Yaowen Gu, Song Xia, Qi Ouyang, Yingkai Zhang

J Chem Inf Model· October 2025

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Empowering Graph Neural Network-Based Computational Drug Repositioning with Large Language Model-Inferred Knowledge Representation.
Yaowen Gu, Zidu Xu, Carl Yang

Interdiscip Sci· September 2025

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Enhancing Transthyretin Binding Affinity Prediction with a Consensus Model: Insights from the Tox24 Challenge.
Xiaolin Pan, Yaowen Gu, Weijun Zhou, Yingkai Zhang

Chem Res Toxicol· May 2025

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Normalized Protein-Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening.
Song Xia, Yaowen Gu, Yingkai Zhang

J Chem Inf Model· February 2025

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Deep multiple instance learning on heterogeneous graph for drug-disease association prediction.
Yaowen Gu, Si Zheng, Bowen Zhang, Hongyu Kang, Rui Jiang

Comput Biol Med· January 2025

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Machine learning-enabled virtual screening indicates the anti-tuberculosis activity of aldoxorubicin and quarfloxin with verification by molecular docking, molecular dynamics simulations, and biological evaluations.
Si Zheng, Yaowen Gu, Yuzhen Gu, Yelin Zhao, Liang Li

Brief Bioinform· November 2024

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Developing a Personalized Meal Recommendation System for Chinese Older Adults: Observational Cohort Study.
Zidu Xu, Yaowen Gu, Xiaowei Xu, Maxim Topaz, Zhen Guo

JMIR Form Res· May 2024

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Study on tumour cell-derived hybrid exosomes as dasatinib nanocarriers for pancreatic cancer therapy.
Xiaofei Zhou, Yuetang Zhuang, Xiaohong Liu, Yaowen Gu, Junting Wang

Artif Cells Nanomed Biotechnol· December 2023

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Prediction of Medical Disputes Between Health Care Workers and Patients in Terms of Hospital Legal Construction Using Machine Learning Techniques: Externally Validated Cross-Sectional Study.
Min Yi, Yuebin Cao, Lin Wang, Yaowen Gu, Xueqian Zheng

J Med Internet Res· August 2023

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Employing Molecular Conformations for Ligand-Based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning.
Yaowen Gu, Jiao Li, Hongyu Kang, Bowen Zhang, Si Zheng

Molecules· August 2023

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Drug-disease association prediction with literature based multi-feature fusion.
Hongyu Kang, Li Hou, Yaowen Gu, Xiao Lu, Jiao Li

Front Pharmacol· May 2023

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MGREL: A multi-graph representation learning-based ensemble learning method for gene-disease association prediction.
Ziyang Wang, Yaowen Gu, Si Zheng, Lin Yang, Jiao Li

Comput Biol Med· March 2023

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REDDA: Integrating multiple biological relations to heterogeneous graph neural network for drug-disease association prediction.
Yaowen Gu, Si Zheng, Qijin Yin, Rui Jiang, Jiao Li

Comput Biol Med· November 2022

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Comparison of Mortality Predictive Models of Sepsis Patients Based on Machine Learning.
Zi-Yang Wang, Yu-Shan Lan, Zi-du Xu, Yao-Wen Gu, Jiao Li

Chin Med Sci J· September 2022

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Developing a Siamese Network for UTIs Risk Prediction in Immobile Patients Undergoing Stroke.
Zidu Xu, Chen Zhu, Yaowen Gu, Si Zheng, Xiangyu Sun

Stud Health Technol Inform· June 2022

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An efficient curriculum learning-based strategy for molecular graph learning.
Yaowen Gu, Si Zheng, Zidu Xu, Qijin Yin, Liang Li

Brief Bioinform· May 2022

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