TCoCPIn reveals topological characteristics of chemical protein interaction networks for novel feature discovery

Abstract Understanding chemical–protein interactions (CPIs) is crucial for drug discovery and biological research, yet their complexity often challenges traditional methods. We propose TCoCPIn, a novel framework integrating graph neural networks (GNN) with the comprehensive topological characteristi...

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Bibliographic Details
Main Authors: Jianshi Wang, Yukio Ohsawa
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:Scientific Reports
Subjects:
Online Access:https://doi.org/10.1038/s41598-025-01410-7
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