Challenging reaction prediction models to generalize to novel chemistry

Fuente: arXiv

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Bibliographic Details
Main Authors:	Bradshaw, John, Zhang, Anji, Mahjour, Babak, Graff, David E., Segler, Marwin H. S., Coley, Connor W.
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2501.06669