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Algorithms for Molecular Biology : AMB
|
June 19, 2026
Extension of partial atom-to-atom maps: uniqueness and algorithms
Marcos E González Laffitte, Tieu-Long Phan, Peter F Stadler
Scientific Data
|
April 20, 2026
SynRXN: An Open Benchmark and Curated Dataset for Computational Reaction Modeling
Tieu-Long Phan, Nhu-Ngoc Nguyen Song, Peter F Stadler
Journal of Cheminformatics
|
July 19, 2024
Reaction rebalancing: a novel approach to curating reaction databases
Tieu-Long Phan, Klaus Weinbauer, Thomas Gärtner, et al.
Journal of Chemical Information and Modeling
|
December 3, 2025
SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis
Tieu-Long Phan, Marcos E González Laffitte, Klaus Weinbauer, et al.
RSC Advances
|
May 6, 2024
Novel machine learning approach toward classification model of HIV-1 integrase inhibitors
Tieu-Long Phan, The-Chuong Trinh, Van-Thinh To, et al.
Journal of Chemical Information and Modeling
|
February 28, 2025
SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases
Tieu-Long Phan, Klaus Weinbauer, Marcos E González Laffitte, et al.
Journal of Chemical Information and Modeling
|
September 8, 2025
KGG: Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions
Van-Thinh To, Phuoc-Chung Van Nguyen, Gia-Bao Truong, et al.
Journal of Cheminformatics
|
April 23, 2026
ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models
Tuyet-Minh Phan, Tieu-Long Phan, Phuoc-Chung Van-Nguyen, et al.
ACS Omega
|
December 2, 2024
Discovery of Vascular Endothelial Growth Factor Receptor 2 Inhibitors Employing Junction Tree Variational Autoencoder with Bayesian Optimization and Gradient Ascent
Gia-Bao Truong, Thanh-An Pham, Van-Thinh To, et al.
Journal of Computer-Aided Molecular Design
|
September 15, 2025
Synergy of advanced machine learning and deep neural networks with consensus molecular docking for virtual screening of anaplastic lymphoma kinase inhibitors
The-Chuong Trinh, Tieu-Long Phan, Van-Thinh To, et al.
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Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Algorithms for Molecular Biology : AMB
|
June 19, 2026
Extension of partial atom-to-atom maps: uniqueness and algorithms
Marcos E González Laffitte, Tieu-Long Phan, Peter F Stadler
Scientific Data
|
April 20, 2026
SynRXN: An Open Benchmark and Curated Dataset for Computational Reaction Modeling
Tieu-Long Phan, Nhu-Ngoc Nguyen Song, Peter F Stadler
Journal of Cheminformatics
|
July 19, 2024
Reaction rebalancing: a novel approach to curating reaction databases
Tieu-Long Phan, Klaus Weinbauer, Thomas Gärtner, et al.
Journal of Chemical Information and Modeling
|
December 3, 2025
SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis
Tieu-Long Phan, Marcos E González Laffitte, Klaus Weinbauer, et al.
RSC Advances
|
May 6, 2024
Novel machine learning approach toward classification model of HIV-1 integrase inhibitors
Tieu-Long Phan, The-Chuong Trinh, Van-Thinh To, et al.
Journal of Chemical Information and Modeling
|
February 28, 2025
SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases
Tieu-Long Phan, Klaus Weinbauer, Marcos E González Laffitte, et al.
Journal of Chemical Information and Modeling
|
September 8, 2025
KGG: Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions
Van-Thinh To, Phuoc-Chung Van Nguyen, Gia-Bao Truong, et al.
Journal of Cheminformatics
|
April 23, 2026
ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models
Tuyet-Minh Phan, Tieu-Long Phan, Phuoc-Chung Van-Nguyen, et al.
ACS Omega
|
December 2, 2024
Discovery of Vascular Endothelial Growth Factor Receptor 2 Inhibitors Employing Junction Tree Variational Autoencoder with Bayesian Optimization and Gradient Ascent
Gia-Bao Truong, Thanh-An Pham, Van-Thinh To, et al.
Journal of Computer-Aided Molecular Design
|
September 15, 2025
Synergy of advanced machine learning and deep neural networks with consensus molecular docking for virtual screening of anaplastic lymphoma kinase inhibitors
The-Chuong Trinh, Tieu-Long Phan, Van-Thinh To, et al.
Page
of 2