Forman persistent Ricci curvature (FPRC)-based machine learning models for protein-ligand binding affinity prediction

• Main Authors: Wee, Junjie, Xia, Kelin
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2023
• Subjects: Science::Mathematics; Forman Ricci Curvature; Molecular Featurization; Machine Learning; Drug Design
• Online Access: https://hdl.handle.net/10356/168978
• Institution: Nanyang Technological University

Artificial intelligence (AI) techniques have already been gradually applied to the entire drug design process, from target discovery, lead discovery, lead optimization and preclinical development to the final three phases of clinical trials. Currently, one of the central challenges for AI-based drug...