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2311.01118
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AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning
2 November 2023
Mohammadamin Tavakoli
Y. T. T. Chiu
Alexander Shmakov
Ann Marie Carlton
David Van Vranken
Pierre Baldi
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Papers citing
"AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning"
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Title
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks
P. Schwaller
Daniel Probst
Alain C. Vaucher
Vishnu H. Nair
D. Kreutter
Teodoro Laino
J. Reymond
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09 Dec 2020
1