Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity
- Award ID(s):
- 1955811
- PAR ID:
- 10334806
- 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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