Beyond Major Product Prediction: Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset

Fuente: arXiv

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Bibliographic Details
Main Authors:	Joung, Joonyoung F., Fong, Mun Hong, Roh, Jihye, Tu, Zhengkai, Bradshaw, John, Coley, Connor W.
Format:	Preprint
Published:	2024
Subjects:	Machine Learning
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2403.04580