Author

Xueying Zheng

Global Health Drug Discovery InstituteORCID 0000-0001-7386-4609Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Molecular Biology· 1 Pharmacology & Toxicology· 1

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 2 Approach:deep learning· 1 Approach:graph neural network· 1 Organism:human· 1 Approach:machine learning (classical)· 1 Approach:statistical model· 1

Frequent Co-Authors

Jinjiang GuoiD· 2 shared Rumin ZhangiD· 2 shared Gengwei Xu· 1 shared Genhui Xiao· 1 shared Han Jie GuoiD· 1 shared Heng Wang· 1 shared JingLan Wang· 1 shared Kai YuiD· 1 shared

Activity by Year

2025-2025 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 45 mutual co-author links

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2 shared papersMolecular Biology

Jinjiang GuoORCID

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2 papers

Recent·Most cited

Molecular BiologybioRxivPreprintNov 1, 2025

DCBK: A Fragment-Based Hybrid Simulation and Machine Learning Framework for Predicting Ligand Dissociation Kinetics

Yang Li, Yixin Wang, Xueying Zheng…·Rumin Zhang

DCBK predicts ligand dissociation kinetics by combining simulation and machine learning, achieving strong agreement with experiments and offering mechanistic insights.

DOI 10.1101/2025.11.01.685950

statistical modelmachine learning (classical)

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Pharmacology & ToxicologybioRxivPreprintApr 28, 2025

GenVS TBDB: A Target-Aware AI-Generated and Virtual Screened Small-Molecule Library for Tuberculosis Drug Discovery

Xiaoying Lv, Han Jie Guo, JingLan Wang…·Jinjiang Guo

This paper introduces GenVS-TBDB, an AI-generated and virtual-screened small-molecule library targeting Mycobacterium tuberculosis, identifying bioactive compounds with potential for tuberculosis drug discovery.

2 citations

humandeep learning

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