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Hoang-Son Lai Le

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Featured publications

Discovery of Vascular Endothelial Growth Factor Receptor 2 Inhibitors Employing Junction Tree Variational Autoencoder with Bayesian Optimization and Gradient Ascent3 citations
ACS Omega · 2024 · DOI
A Graph Neural Network Model Enables Accurate Prediction of Anaplastic Lymphoma Kinase Inhibitors Compared to Other Machine Learning Models2 citations
· 2023 · DOI
Synergy of advanced machine learning and deep neural networks with consensus molecular docking for virtual screening of anaplastic lymphoma kinase inhibitors2 citations
Journal of Computer-Aided Molecular Design · 2025 · DOI
Novel machine learning approach toward classification model of HIV-1 integrase inhibitors1 citations
ChemRxiv · 2024 · DOI
Rank-Resolved Multi-Engine Docking and Optuna-Optimized Re-Ranking with ProDock for Virtual Screening
bioRxiv (Cold Spring Harbor Laboratory) · 2026 · DOI
ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models
Journal of Cheminformatics · 2026 · DOI
SynEPD: a curated mechanistic data resource with electron-pushing annotations and hierarchical taxonomy for polar organic reactions
Research Square · 2026 · DOI
lelaihoangson/Proximity-Driven-Regioselective-Peptide-Bicyclization-PReP-Bicyc-on-Phage-Displayed-Libraries: v1.0.1 Release
Open MIND · 2026 · DOI
A Proximity-Driven and Regioselective Peptide Bicyclization (PReP-Bicyc) Approach for Phage Display Libraries
Zenodo (CERN European Organization for Nuclear Research) · 2026 · DOI
Discovery of VEGFR-2 Inhibitors employing JunctionTree Variational Encoder with Local Latent SpaceBayesian Optimization and Gradient Ascent Exploration
ChemRxiv · 2024 · DOI

About the field of Pharmacy

Common research topics in this field:

Natural product bioactivities and synthesisEssential Oils and Antimicrobial ActivityPhytochemistry and Biological ActivitiesPhytochemicals and Antioxidant ActivitiesComputational Drug Discovery MethodsMicrobial Natural Products and Biosynthesis

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Hoang-Son Lai LeUniversity of Medicine and Pharmacy at Ho Chi Minh City
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