Graph Neural Networks for Figuring out Protein-Reactive Compounds

Digital Discovery, 2024, Accepted Manuscript
DOI: 10.1039/D4DD00038B, Paper

Open Access

&nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Victor Hugo Cano Gil, Christopher Rowley
The identification of protein-reactive electrophilic compounds is critical to the design of new covalent modifier drugs, screening for toxic compounds, and the exclusion of reactive compounds from high throughput screening….
The content of this RSS Feed (c) The Royal Society of Chemistry