The QAP-polytope and the graph isomorphism problem
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Combinatorial Optimization"
DOI: 10.1007/s10878-018-0266-x
Abstract: In this paper we propose a geometric approach to solve the Graph Isomorphism (GI in short) problem. Given two graphs $$G_1, G_2$$G1,G2, the GI problem is to decide if the given graphs are isomorphic i.e.,… read more here.
Keywords: graph isomorphism; polytope; graphs isomorphic; problem ... See more keywords
DockRMSD: an open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Cheminformatics"
DOI: 10.1186/s13321-019-0362-7
Abstract: Comparison of ligand poses generated by protein–ligand docking programs has often been carried out with the assumption of direct atomic correspondence between ligand structures. However, this correspondence is not necessarily chemically relevant for symmetric molecules… read more here.
Keywords: graph isomorphism; dockrmsd; rmsd calculation; symmetric molecules ... See more keywords
Understanding Graph Isomorphism Network for rs-fMRI Functional Connectivity Analysis
Sign Up to like & getrecommendations! Published in 2020 at "Frontiers in Neuroscience"
DOI: 10.3389/fnins.2020.00630
Abstract: Graph neural networks (GNN) rely on graph operations that include neural network training for various graph related tasks. Recently, several attempts have been made to apply the GNNs to functional magnetic resonance image (fMRI) data.… read more here.
Keywords: graph isomorphism; fmri; network; isomorphism network ... See more keywords
Identification of Young High-Functioning Autism Individuals Based on Functional Connectome Using Graph Isomorphism Network: A Pilot Study
Sign Up to like & getrecommendations! Published in 2022 at "Brain Sciences"
DOI: 10.3390/brainsci12070883
Abstract: Accumulated studies have determined the changes in functional connectivity in autism spectrum disorder (ASD) and spurred the application of machine learning for classifying ASD. Graph Neural Network provides a new method for network analysis in… read more here.
Keywords: functional connectome; network; autism; isomorphism network ... See more keywords