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

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

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...

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Bibliographic Details
Main Authors: Wee, Junjie, Xia, Kelin
Other Authors: School of Physical and Mathematical Sciences
Format: Journal 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

Internet

https://hdl.handle.net/10356/168978

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