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QM assisted ML for 19F NMR chemical shift prediction.

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Bibliographic Details
Title: QM assisted ML for 19F NMR chemical shift prediction.
Authors: Penner, Patrick1 (AUTHOR) patrick.penner@novartis.com, Vulpetti, Anna1 (AUTHOR) anna.vulpetti@novartis.com
Source: Journal of Computer-Aided Molecular Design. Dec2024, Vol. 38 Issue 1, p1-15. 15p.
Database: Academic Search Ultimate
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ISSN:0920654X
DOI:10.1007/s10822-023-00542-0