Author

Yu Wang

University of OregonORCID 0000-0001-6908-508XUnclaimed ORCID profile · follow to get notified of new preprints

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Yu Wang38 papers · Peking University

Biology Disciplines

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Bioinformatics· 2

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 2 Approach:graph neural network· 2 Research Focus:benchmarking· 1 Approach:machine learning (classical)· 1

Frequent Co-Authors

Bobby BodenheimeriD· 2 shared Jens MeileriD· 2 shared Rocco MorettiiD· 2 shared Tyler DerriD· 2 shared Yunchao LiuiD· 2 shared Bailu YaniD· 1 shared Ha Dong· 1 shared Oanh VuiD· 1 shared

Activity by Year

2023-2025 · peak 1/yr

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8 top collaborators · 26 mutual co-author links

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2 shared papersBioinformatics

Bobby BodenheimerORCID

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2 papers

Recent·Most cited

BioinformaticsJournal of Chemical Information and ModelingPeer-reviewedMay 14, 2025

Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors

Yunchao Liu, Rocco Moretti, Yu Wang…·Jens Meiler

This paper evaluates combining graph neural networks with expert descriptors for ligand-based virtual screening, finding that simpler GNNs with descriptors perform comparably to complex ones and that expert descriptors excel in scaffold-split scenarios.

13 citationstop 3%

graph neural networkmachine learning (classical)

𝕏 PostBluesky

BioinformaticsProceedings of the AAAI Conference on Artificial IntelligencePeer-reviewedJun 26, 2023

Interpretable Chirality-Aware Graph Neural Network forQuantitative Structure Activity Relationship Modeling in Drug Discovery

Yunchao Liu, Yu Wang, Oanh Vu…·Tyler Derr

The paper introduces a chirality-aware graph neural network for drug discovery that improves predictive performance and interpretability in quantitative structure activity relationship modeling.

35 citationstop 1%

graph neural networkdrug response / drug discovery

𝕏 PostBluesky