Equivariant Graph Neural Networks for Toxicity Prediction

Summary

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Authors: Julian Cremer, Leonardo Medrano Sandonas, Alexandre Tkatchenko, Djork-Arné Clevert, Gianni De Fabritiis

Journal title: Chemical Research in Toxicology

Journal publisher: American Chemical Society

Published year: 2023

DOI identifier: 10.1021/acs.chemrestox.3c00032

ISSN: 0893-228X