Discovery of Vascular Endothelial Growth Factor Receptor 2 Inhibitors Employing Junction Tree Variational Autoencoder with Bayesian Optimization and Gradient Ascent

• Gia-Bao Truong,
• Thanh-An Pham,
• Van-Thinh To,
• Hoang-Son Lai Le,
• Phuoc-Chung Van Nguyen,
• The-Chuong Trinh,
• Tieu-Long Phan,
• Tuyen Ngoc Truong

Affiliations

Gia-Bao Truong

Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam

Thanh-An Pham

Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam

Van-Thinh To

Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam

Hoang-Son Lai Le

Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam

Phuoc-Chung Van Nguyen

Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam

The-Chuong Trinh

Faculty of Pharmacy, Grenoble Alpes University, La Tronche, France

Tieu-Long Phan

Bioinformatics Group, Department of Computer Science & Interdisciplinary Center for Bioinformatics & School for Embedded and Composite Artificial Intelligence (SECAI), Leipzig University, Leipzig, Germany

Tuyen Ngoc Truong

Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam