Fingerprint-enhanced graph attention network (FinGAT) model for antibiotic discovery

• Main Authors: Choo, Hou Yee, Wee, Junjie, Shen, Cong, Xia, Kelin
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2023
• Subjects: Science::Mathematics; Anti-bacterial Agents; Artificial Intelligence
• Online Access: https://hdl.handle.net/10356/170327
• Institution: Nanyang Technological University

Artificial Intelligence (AI) techniques are of great potential to fundamentally change antibiotic discovery industries. Efficient and effective molecular featurization is key to all highly accurate learning models for antibiotic discovery. In this paper, we propose a fingerprint-enhanced graph atten...