Graph Convolutional Neural Network-Enabled Frontier Molecular Orbital Prediction: A Case Study with Neurotransmitters and Antidepressants
- Award ID(s):
- 2320718
- PAR ID:
- 10618672
- Publisher / Repository:
- American Chemical Society
- Date Published:
- Journal Name:
- Journal of Chemical Information and Modeling
- Volume:
- 65
- Issue:
- 14
- ISSN:
- 1549-9596
- Format(s):
- Medium: X Size: p. 7447-7462
- Size(s):
- p. 7447-7462
- Sponsoring Org:
- National Science Foundation
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