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

• المؤلفون الرئيسيون: Wee, Junjie, Xia, Kelin
• مؤلفون آخرون: School of Physical and Mathematical Sciences
• التنسيق: مقال
• اللغة: English
• منشور في: 2023
• الموضوعات: Science::Mathematics; Forman Ricci Curvature; Molecular Featurization; Machine Learning; Drug Design
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/168978

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...