A Graph Neural Network Model Enables Accurate Prediction of Anaplastic Lymphoma Kinase Inhibitors Compared to Other Machine Learning Models. - The-Chuong Trinh; Tieu-Long Phan; Van-Thinh To; Gia-Bao Truong; Thanh-An Pham; Hoang-Son Lai Le; Phuoc-Chung van Nguyen; Tuyen Ngoc Truong (KSE, 2023)

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)