Viet-Khoa Tran-Nguyen

According to our database, Viet-Khoa Tran-Nguyen authored at least 8 papers between 2019 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors.

Viet-Khoa Tran-Nguyen, Ulrick Fineddie Randriharimanamizara, Olivier Taboureau

J. Cheminformatics, December, 2025

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

The-Chuong Trinh, Pierre Falson, Viet-Khoa Tran-Nguyen, Ahcène Boumendjel

J. Chem. Inf. Model., 2025

2024

Comprehensive machine learning boosts structure-based virtual screening for PARP1 inhibitors.

Klaudia Caba, Viet-Khoa Tran-Nguyen, Taufiq Rahman, Pedro J. Ballester

J. Cheminformatics, December, 2024

ClassyPose: A Machine-Learning Classification Model for Ligand Pose Selection Applied to Virtual Screening in Drug Discovery.

Viet-Khoa Tran-Nguyen, Anne-Claude Camproux, Olivier Taboureau

Adv. Intell. Syst., December, 2024

2023

Beware of Simple Methods for Structure-Based Virtual Screening: The Critical Importance of Broader Comparisons.

Viet-Khoa Tran-Nguyen, Pedro J. Ballester

J. Chem. Inf. Model., March, 2023

2021

True Accuracy of Fast Scoring Functions to Predict High-Throughput Screening Data from Docking Poses: The Simpler the Better.

Viet-Khoa Tran-Nguyen, Guillaume Bret, Didier Rognan

J. Chem. Inf. Model., 2021

2020

LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening.

Viet-Khoa Tran-Nguyen, Célien Jacquemard, Didier Rognan

J. Chem. Inf. Model., 2020

2019

All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening.

Viet-Khoa Tran-Nguyen, Franck Da Silva, Guillaume Bret, Didier Rognan

J. Chem. Inf. Model., 2019