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Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
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Ilm-NMR-P31: an open-access 31P nuclear magnetic resonance database and data-driven prediction of 31P NMR shifts

Jasmin Hack1, Moritz Jordan1, Alina Schmitt1

  • 1Institute of Chemistry and Bioengineering, Group of Physical Chemistry/Catalysis, Technical University Ilmenau, Weimarer Str. 32, 98693, Ilmenau, Germany.

Journal of Cheminformatics
|December 19, 2023
PubMed

Keywords:
DatabaseFingerprintGraph neural networkHOSEIncrement systemNMRPhosphorusPrediction

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