Graph Neural Networks for Figuring out Protein-Reactive Compounds
Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00038B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Victor Hugo Cano Gil, Christopher RowleyThe identification of protein-reactive electrophilic compounds is critical to the design of new covalent modifier drugs, screening for toxic