Ilm-NMR-P31: an open-access 31P nuclear magnetic resonance database and data-driven prediction of 31P NMR shifts

Ilm-NMR-P31: an open-access 31P nuclear magnetic resonance database and data-driven prediction of 31P NMR shifts

Abstract This publication introduces a novel open-access 31P Nuclear Magnetic Resonance (NMR) shift database. With 14,250 entries encompassing 13,730 distinct molecules from 3,648 references, this database offers a comprehensive repository of organic and inorganic compounds. Emphasizing single-phosp...

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Bibliographic Details
Main Authors: Jasmin Hack, Moritz Jordan, Alina Schmitt, Melissa Raru, Hannes Sönke Zorn, Alex Seyfarth, Isabel Eulenberger, Robert Geitner
Format: Article
Language:English
Published: BMC 2023-12-01
Series:Journal of Cheminformatics
Subjects:
NMR
Phosphorus
Database
Prediction
Increment system
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Online Access:https://doi.org/10.1186/s13321-023-00792-y

Internet

https://doi.org/10.1186/s13321-023-00792-y

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