The-Chuong Trinh

The-Chuong Trinh

PhD student in Bioinformatics at the Gen&Chem lab (BGE). Pharmacist and Master's degree holder in BioHealth Engineering with expertise in applying ML/DL methodologies to Computer-Aided Drug Discovery.

Publications

Ligand-Based Drug Discovery Leveraging State-of-the-Art Machine Learning Methodologies Exemplified by Cdr1 Inhibitor Prediction

Published in Journal of Chemical Information and Modeling (JCIM), 2025

In this study, we employed state-of-the-art machine learning methods, including Multi-Instance Learning (MIL) 3D Graph Neural Networks, to predict inhibitors for the Candida albicans Cdr1 efflux pump…

Recommended citation: The-Chuong Trinh, Pierre Falson, Viet-Khoa Tran-Nguyen, and Ahcène Boumendjel. Ligand-Based Drug Discovery Leveraging State-of-the-Art Machine Learning Methodologies Exemplified by Cdr1 Inhibitor Prediction. Journal of Chemical Information and Modeling 2025. DOI: 10.1021/acs.jcim.5c00374 https://pubs.acs.org/doi/abs/10.1021/acs.jcim.5c00374

Synergy of advanced machine learning and deep neural networks with consensus molecular docking for virtual screening of anaplastic lymphoma kinase inhibitors

Published in Journal of Computer-Aided Molecular Design, 2025

This study addresses the urgent need for an AI model to predict Anaplastic Lymphoma Kinase (ALK) inhibitors for Non-Small Cell Lung Cancer treatment, targeting the ALK-positive mutation…

Recommended citation: Trinh, T.C., et al. Synergy of advanced machine learning and deep neural networks with consensus molecular docking for virtual screening of anaplastic lymphoma kinase inhibitors. J Comput Aided Mol Des 39, 7 (2025). https://doi.org/10.1007/s10822-025-00657-6 https://link.springer.com/article/10.1007/s10822-025-00657-6

A graph neural network model enables accurate prediction of Anaplastic lymphoma kinase inhibitors compared to other machine learning models

Published in 15th International Conference on Knowledge and Systems Engineering (KSE), 2023

Anaplastic lymphoma kinase (ALK), a tyrosine kinase receptor, is defined as an important target in the development of anticancer drugs for non-small cell lung cancer…

Recommended citation: T. -C. Trinh et al., "A Graph Neural Network Model Enables Accurate Prediction of Anaplastic Lymphoma Kinase Inhibitors Compared to Other Machine Learning Models," 2023 15th International Conference on Knowledge and Systems Engineering (KSE), Hanoi, Vietnam, 2023, pp. 1-6, doi: 10.1109/KSE59128.2023.10299477. https://ieeexplore.ieee.org/abstract/document/10299477

Application of machine learning in virtual screening of HIV integrase inhibitors

Published in Vietnamese Pharmacy Journal, 2022

Applications of machine learning in drug design is an emerging and fast-growing field of research. In silico models allow the speeding up of drug discovery and developments…

Recommended citation: Tieu Long Phan, Xuan Truc Tran Dinh, The Chuong Trinh, Hoang Son Le Lai, Ngoc Tuyen Truong (2022). Application of machine learning in virtual screening of HIV integrase inhibitors - Vietnamese Pharmacy Journal, 506, 21-25.