A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization
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DOI: 10.1002/minf.202000050
Abstract: We report a comprehensive fragment library with 205,903 fragments derived from the recently published Collection of Open Natural Products (COCONUT) data set with more than 400,000 non‐redundant natural products. The natural products‐based fragment library was… read more here.
Keywords: natural products; fragments derived; comparative chemoinformatic; library natural ... See more keywords
BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds.
Sign Up to like & getrecommendations! Published in 2020 at "Phytochemistry"
DOI: 10.1016/j.phytochem.2020.112427
Abstract: The Bioinformatics & Molecular Design Research Center Mass Spectral Library - Natural Products (BMDMS-NP) is a library containing the mass spectra of natural compounds, especially plant specialized metabolites. At present, the library contains the electrospray… read more here.
Keywords: natural compounds; esi spectral; bmdms comprehensive; comprehensive esi ... See more keywords