Yadong Chen

Sun Yat-sen University — China

Computer Science · Physical Sciences

33h-index4.2kcitations280works3.32yr avg
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Research Topics

Computational Drug Discovery Methods(68), Protein Degradation and Inhibitors(37), Histone Deacetylase Inhibitors Research(28), Synthesis and biological activity(17), Click Chemistry and Applications(16)

Publications280 total

Design, synthesis, and biological evaluation of novel NIK inhibitors for the treatment of inflammatory bowel disease and sepsis
European Journal of Medicinal Chemistry·2025
M3Hep: a multimodal hepatotoxicity prediction model combining mitochondrial toxicity and masking strategy
Toxicology Mechanisms and Methods·2025
Rational Design and Biological Evaluation of a Novel Polθ Polymerase Inhibitor for Synergistic Targeting of HR-Deficient Cancers
Journal of Medicinal Chemistry·2025
Design and Synthesis of Novel <i>N</i> -(1 <i>H</i> -pyrazol-3-yl)pyrimidin-4-amine Aurora/HDAC Dual Inhibitors for Colorectal Cancer Treatment
Journal of Medicinal Chemistry·2025
Discovery of Novel MsbA Inhibitors with a Bivalent Molecular Generative Model
Journal of Chemical Information and Modeling·2025
Combining IMWG GA and hematopoietic score to optimize the evaluation of dynamic chemotherapy tolerance in multiple myeloma
Annals of Medicine·2025· 1 citedOpen Access
Oral bioavailability property prediction based on task similarity transfer learning
Molecular Diversity·2025· 1 cited
Integrating Generative Pretrained Transformer and Genetic Algorithms for Efficient and Diverse Molecular Generation
Molecular Informatics·2025· 1 cited
Design, synthesis, and pharmacological evaluation of novel M4 muscarinic receptor positive allosteric modulators for schizophrenia treatment
European Journal of Medicinal Chemistry·2025
Drug repurposing: a promising drug discovery strategy for the treatment of emerging epidemic infectious disease
Molecular Diversity·2025· 3 cited
MTGNN: A Drug–Target–Disease Triplet Association Prediction Model Based on Multimodal Heterogeneous Graph Neural Networks and Direction-Aware Metapaths
Journal of Chemical Information and Modeling·2025· 3 cited
Market-Oriented Development Path of Hainan's Shipping Services under the Background of the Free Trade Port
Journal of social science and cultural development.·2025Open Access
Discovery of THB Derivates as Ferroptosis Inhibitors for the Treatment of Acute Kidney Injury by Targeting VDAC
Journal of Medicinal Chemistry·2025· 3 cited
Structure-Guided Optimization of 2-Aminoquinazoline Hematopoietic Progenitor Kinase 1 Inhibitors for Improved Oral Bioavailability and Synergistic Antitumor Immunity
Journal of Medicinal Chemistry·2025· 8 cited
Discovery of Novel Bifunctional Agents as Potent Androgen Receptor Antagonists and Degraders for the Treatment of Enzalutamide-Resistant Prostate Cancer
Journal of Medicinal Chemistry·2025· 1 cited
MGF-GCN: Multimodal interaction Mamba-aided graph convolutional fusion network for semantic segmentation of remote sensing images
Information Fusion·2025· 6 citedOpen Access
Using explainable machine learning to predict the irritation and corrosivity of chemicals on eyes and skin
Toxicology Letters·2025· 1 cited
Probing the Pharmacological Mechanisms and Optimization of NIK Inhibitor Via Gaussian Accelerated Molecular Dynamics Simulations
ChemistrySelect·2025
Z-scheme CoS/Bi4O5I2 heterostructure for visible light catalytic degradation of tetracycline hydrochloride: Degradation mechanism, toxicity evaluation, and potential applications
Environmental Research·2025· 7 cited
Single-cell spatial transcriptomic atlas of the whole mouse brain
Neuron·2025· 19 cited
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Frequent Co-authors

Tao Lu(17), Yanmin Zhang(15), Haichun Liu(12), Shuai Lü(9), Tao Lu(9), Hongmei Li(7), Haoliang Yuan(6), Fei Jiang(6), Rutao Liu(5), Yuanrong Fan(5), Weifang Tang(5), Yuchen Wang(4), Lu Zhu(4), Junnan Zhao(4), Yu Jiao(4), Qidong You(4), Yanle Zhi(3), Xingye Chen(3), Junyu Xu(3), Hongmei Li(3)