Toxicity prediction via algebraic graph-assisted bidirectional transformers

• Main Author: Ooi, Yen Sun
• Other Authors: Xia Kelin
• Format: Final Year Project
• Language: English
• Published: Nanyang Technological University 2023
• Subjects: Science::Mathematics::Discrete mathematics::Graph theory
• Online Access: https://hdl.handle.net/10356/166443
• Institution: Nanyang Technological University

Drug lead optimization is a crucial stage in drug development that seeks to improve the efficacy and safety of potential drug candidates. However, toxicity is a major concern that can hinder the development process of drugs, especially when it is harmful to human bodies. In this paper, we present Al...