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Filtering by: Contributor Gonzalez-Montiel, Gisela Remove constraint Contributor: Gonzalez-Montiel, Gisela Creator Heussner, Robert T. Remove constraint Creator: Heussner, Robert T.

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  • Machine learning approach to improve drug discovery in natural product extracts

    Creator:
    Heussner, Robert T.
    Abstract:
    Current natural product (NP) research is limited by its reliance on bioassay-guided fractionation to identify bioactive compounds in mixtures. Computational approaches may improve NP research by correlating mass spectra (MS) and nuclear magnetic resonance spectra (NMR) of bioactive mixtures to their bioactivity patterns. In this study, I use artificial neural...
    Resource Type:
    Honors College Thesis
    Full Text:
    and Gisela Gonzalez-Montiel for the annotated MS and NMR data that made this work possible. I would