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"Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural ..."

Mohammadamin Tavakoli et al. (2022)

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DOI: 10.1021/ACS.JCIM.1C01400

access: closed

type: Journal Article

metadata version: 2023-08-28

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  - https://dblp.org/rec/journals/jcisd/TavakoliMVB22
Mohammadamin Tavakoli, Aaron Mood, David Van Vranken, Pierre Baldi:
Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity. J. Chem. Inf. Model. 62(9): 2121-2132 (2022)

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