Dowker complex based machine learning (DCML) models for protein-ligand binding affinity prediction

• Main Authors: Liu, Xiang, Feng, Huitao, Wu, Jie, Xia, Kelin
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2022
• Subjects: Science::Mathematics; Artificial Intelligence; Ligands
• Online Access: https://hdl.handle.net/10356/161049
• Institution: Nanyang Technological University

With the great advancements in experimental data, computational power and learning algorithms, artificial intelligence (AI) based drug design has begun to gain momentum recently. AI-based drug design has great promise to revolutionize pharmaceutical industries by significantly reducing the time and...