Author: Amer Marwan El-Samman

World geometry of chemical graph neural community representations on the subject of chemical moieties

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00200D, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Amer Marwan El-Samman, Incé Amina Husain, Mai Huynh, Stefano De Castro, Brooke Morton, Stijn De BaerdemackerThe embedding vectors from a Graph Neural Network trained