“The best cheminformatics models are not those that predict perfectly, but those that guide meaningful decisions.”
– inspired by Jürgen Bajorath
Our Repositories
Predictive Models
AI Models for BACE1 inhibitor prediction integrating ensemble docking score
Developer: Ky Vo-Song Nguyen | Supervisor: Tan Thanh Mai
Virtual Screening Models
Molecular docking model system targeting key proteins involved in Type II Diabetes
Developer: Khanh Nguyen, Linh Chau, Minh Nguyen, Tam Tran, and Thu Dao | Supervisor: Tan Thanh Mai, Ky Vo-Song Nguyen
Useful Scripts & Tools
Updating…
Tan Thanh Mai 