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Title: Leveraging DFT and Molecular Fragmentation for Chemically Accurate p K a Prediction Using Machine Learning
Award ID(s):
2102583
PAR ID:
10510339
Author(s) / Creator(s):
; ;
Publisher / Repository:
ACS Publications
Date Published:
Journal Name:
Journal of Chemical Information and Modeling
Volume:
64
Issue:
3
ISSN:
1549-9596
Page Range / eLocation ID:
712 to 723
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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