MolUtil
Published:
This is a repository containing useful functions for cheminformatics tasks 
Posts by Collection
portfolio
Mol2DSimi
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This is a repository to calculate similartity and compare performance of different types of fingerprints 
MolCluster
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This is a repository to categorize compounds into different clusters
Molph4
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This is an automated tool to extract pharmacophore result of MOE software and validation
MolAD
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This is a repository to identify applicability domain of QSAR model 
DockValid
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This is a repository to for automated docking score extraction and validation from different softwares 
MLQSAR
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This is a repository to for automated docking score extraction and validation from different softwares 
project
In silico modeling for prediction of potential HIV integrase inhibitors
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This is a repository containing Tieu Long Phan master thesis 
Tubulin docking
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This is a repository containing one part of Le Lai Hoang Son’s thesis 
Graph Neural Network for ALK inhibitors
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This is a repository containing one part of Trinh The Chuong’s thesis 
publications
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.
Design, synthesis, antimicrobial evaluations and in silico studies of novel pyrazol-5(4H)-one and 1H-pyrazol-5-ol derivatives
Published in Arabian Journal of Chemistry, 2022
A new series of 1,4-disubstituted 3-methylpyrazol-5(4H)-one derivatives were synthesized by reacting various substituted aromatic aldehydes with 3-methylpyrazol-5(4H)-one derivatives through Knoevenagel condensation by conventional as well as by exposure to microwave irradiations…
Recommended citation: Em, P. C., L. T. Tuong Vi, T. P. Long, T. N. Huong-Giang, N. B. L. Khanh, and N. T. Tuyen. "Design, synthesis, antimicrobial evaluations and in silico studies of novel pyrazol-5 (4H)-one and 1 H-pyrazol-5-ol derivatives." Arab. J. Chem 15 (2022): 103682. https://doi.org/10.1016/j.arabjc.2021.103682
Study on the effect of molecular fingerprints on the performance of machine learning model predicting hiv integrase bioactivty
Published in Vietnamese Pharmacy Journal, 2023
HIV-1 has been causing severe pandemics since the 1980s by attacking the host immune system. If HIV-1 is not treated, it can eventually lead to AIDS (acquired immunodeficiency syndrome), where death is inevitable due to opportunistic infections. Therefore, discovering new HIV-1 antiviral drugs is…
Recommended citation: Tieu Long Phan, Thanh An Pham, Bao Vy Doan Ngoc, Hoang Son Le Lai, Ngoc Tuyen Truong (2023). Study on the effect of molecular fingerprints on the performance of machine learning model predicting HIV integrase bioactivty. Vietnamese Pharmacy Journal (Accepted).
Application of medicinal chemistry filtration and molecular docking in selecting STAT3 inhibitors from CUCURBITACIN E derivatives
Published in Vietnamese Pharmacy Journal, 2023
Cancer is one of the leading causes of death worldwide with nearly 10 million deaths recorded in 2020, according to the World Health Organization report. While targeting STAT3 (Signal transducer and activator of transcription 3) has been known as a promising pathway for controlling tumor growth, cucurbitacin is considered potential for…
Recommended citation: Tieu Long Phan, Anh Hao Huynh, Nhu Ngoc Nguyen Song, Dong Nghi Nguyen Hoang, Ngoc Tam Chan Nguyen, Ngoc Tuyen Truong (2023). Application of medicinal chemistry filtration and molecular docking in selecting STAT3 inhibitors from CUCURBITACIN E derivatives. Vietnamese Pharmacy Journal (Accepted).
talks
Talk 1 on Relevant Topic in Your Field
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This is a description of your talk, which is a markdown files that can be all markdown-ified like any other post. Yay markdown!
Conference Proceeding talk 3 on Relevant Topic in Your Field
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This is a description of your conference proceedings talk, note the different field in type. You can put anything in this field.
teaching
Cheminformatics
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.
Molecular Docking
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.
Deep Learning
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.
Molecular Docking Colab
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.