Geometric multi-color message passing graph neural networks for blood–brain barrier permeability prediction
Year: 2025
Type: article
DOI: 10.1039/d5me00175g
Authors: Trung Nguyen, Md Masud Rana, Farjana Tasnim Mukta, Chang-Guo Zhan, Duc Duy Nguyen
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: closed
Funder: National Science Foundation
Awards: Robust and Reliable Mathematical Models for Biomolecular Data via Differential Geometry and Graph Theory, DMS/NIGMS 1: Data-driven Ricci curvatures and spectral graph for machine learning and adaptive virtual screening, Collaborative Research: Integrating Algebraic Topology, Graph Theory, and Multiscale Analysis for Learning Complex and Diverse Datasets
OpenAlex ID: W4417046511