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Van-Thinh To

Novel machine learning approach toward classification model of HIV-1 integrase inhibitors
2024 · Tieu-Long Phan, Hoang-Son Lai Le, et al. · RSC Advances · 11
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KGG : Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions
2025 · Van-Thinh To, Phuoc-Chung Van Nguyen, et al. · Journal of Chemical Information and Modeling · 10
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Integration of the Butina algorithm and ensemble learning strategies for the advancement of a pharmacophore ligand-based model: an in silico investigation of apelin agonists
2024 · Xuan-Truc Dinh Tran, Tieu-Long Phan, et al. · Frontiers in Chemistry · 9
Enhancing virtual screening of cystathionine β-synthase inhibitors: benchmarking target-specific machine-learning scoring functions against state-of-the-art AI docking and co-folding approaches
2026 · Cao-Minh Truong, Van-Thinh To, et al. · Journal of Cheminformatics · 4
SynCat: molecule-level attention graph neural network for precise reaction classification
2025 · Phuoc-Chung Van Nguyen, Van-Thinh To, et al. · Digital Discovery · 4
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ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models
2026 · Tuyet-Minh Phan, Tieu-Long Phan, et al. · Journal of Cheminformatics · 3
Discovery of Vascular Endothelial Growth Factor Receptor 2 Inhibitors Employing Junction Tree Variational Autoencoder with Bayesian Optimization and Gradient Ascent
2024 · Gia-Bao Truong, Thanh-An Pham, et al. · ACS Omega · 3
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Synergy of advanced machine learning and deep neural networks with consensus molecular docking for virtual screening of anaplastic lymphoma kinase inhibitors
2025 · The-Chuong Trinh, Tieu-Long Phan, et al. · Journal of Computer-Aided Molecular Design · 2
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A Graph Neural Network Model Enables Accurate Prediction of Anaplastic Lymphoma Kinase Inhibitors Compared to Other Machine Learning Models
2023 · The-Chuong Trinh, Tieu-Long Phan, et al. · International Conference on Knowledge and Systems Engineering/Proceedings · 2
Innovative virtual screening of PD-L1 inhibitors: the synergy of molecular similarity, neural networks and GNINA docking
2024 · Van-Thinh To, Tieu-Long Phan, et al. · Future Medicinal Chemistry · 1
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Small-Molecule Data Splitting for Machine Learning in Drug Design
2026 · Cao-Minh Truong, Van-Thinh To, et al. · ChemRxiv
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KITE: Knowledge-Infused Transformer Encoder for Molecular Property Prediction
2026 · Hoang-Huy Nguyen, Van-Thinh To, et al. · ChemRxiv
Additional file 1 of Enhancing virtual screening of cystathionine β-synthase inhibitors: benchmarking target-specific machine-learning scoring functions against state-of-the-art AI docking and co-folding approaches
2026 · Cao-Minh Truong, Van-Thinh To, et al. · Figshare
Enhancing virtual screening of cystathionine β-synthase inhibitors: benchmarking target-specific machine-learning scoring functions against state-of-the-art AI docking and co-folding approaches
2026 · Cao-Minh Truong, Van-Thinh To, et al. · Figshare
Additional file 1 of ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models
2026 · Phan, Tuyet-Minh, Phan, Tieu-Long, et al. · Figshare
Enhancing Virtual Screening of Cystathionine β-Synthase Inhibitors: Benchmarking Target-Specific Machine-Learning Scoring Functions Against State-of-the-Art AI Docking and Co-Folding Approaches
2026 · Truong, Cao-Minh, To, Van-Thinh, et al. · Zenodo (CERN European Organization for Nuclear Research)
Author response for "SynCat : Molecule-Level Attention Graph Neural Network for Precise Reaction Classification"
2025 · Phuoc-Chung Van Nguyen, Van-Thinh To, et al. · Publons reviews and discussion
Works count: 17
Citation count: 49
H-index: 4
I10-index: 2
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