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A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.
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About me
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MolUtil is an automated pipeline for molecular standardization, featurization into molecular descriptors and fingerprints, medicinal chemistry filtration, and chemical space visualization
Mlqsar is a comprehensive automated QSAR workflow facilitating benchmark analysis and data category selection via rigorous statistical evaluation
MolAD helps identify the applicability domain of QSAR models using PCA or MDS dimension reduction with the convex hull.
Statistical test improves decision-making in comparing machine learning models’ performance by implementing statistical tests, including Bayesian estimation and the Wilcoxon signed-rank test
This is a repository containing my graduation thesis, which is currently under review by the BBA - Molecular Basis of Disease Journal.
This repository contains my publications from the KSE international conferences (Proceedings of the IEEE) and also the most interesting parts of my graduation thesis.
This is a repository containing Tieu Long Phan master thesis
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.
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
Published in Scientific Reports , 2023
This study addresses the urgent need for new Anaplastic lymphoma kinase (ALK) inhibitors in Non-Small Cell Lung Cancer (NSCLC), focusing on the ALK-positive mutation variant (5% of cases)…
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Internal training, University of Medicine and Pharmacy at Ho Chi Minh city, Department of Organic Chemistry, 2022
This is a set of eight (8) tutorials on basic information of cheminformatics using the Google Colab free cloud-computing environment in Summer 2022.
Internal training, University of Medicine and Pharmacy at Ho Chi Minh city, Department of Organic Chemistry, 2022
This is a set of two (2+) tutorials on basic information of molecular docking incoporating python framework, using the Google Colab free cloud-computing environment in Fall 2022.
Internal training, University of Medicine and Pharmacy at Ho Chi Minh city, Department of Organic Chemistry, 2023
This is a set of four (4+) tutorials on basic information of deep learning in drug discovery incoporating tensorflow and pytorch framework, using the Google Colab free cloud-computing environment in Spring 2023.
Internal training, University of Medicine and Pharmacy at Ho Chi Minh city, Department of Organic Chemistry, 2023
This is a set of two (4) tutorials on basic information of molecular docking incoporating python framework, using the Google Colab free cloud-computing environment in Summer 2023. You can watch this tutorial to learn how to use Google Colab. Please download the presentation here. Or you can read the Vietnamse document.