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Title: Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity
Award ID(s):
1955811
NSF-PAR ID:
10334806
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
Journal of Chemical Information and Modeling
Volume:
62
Issue:
9
ISSN:
1549-9596
Page Range / eLocation ID:
2121 to 2132
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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