Equivariant Graph Neural Networks for Toxicity Prediction

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

Journal title: Crossref

Journal number: 40

Journal publisher: ACS

Published year: 2023

DOI identifier: 10.26434/chemrxiv-2023-9kb55

ISSN: 0000-0000