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Full-Text Articles in Chemistry
Rapid Method For Consistency And Concentration Reporting Of Cannabidiol Using 1H-Nmr And Computer-Assisted Chemical Software, Michael A. Fernando
Rapid Method For Consistency And Concentration Reporting Of Cannabidiol Using 1H-Nmr And Computer-Assisted Chemical Software, Michael A. Fernando
University Honors Theses
An integrated computational method was demonstrated with hemp-derived Cannabidiol for an assessment of its purity and concentration. The sample was structurally verified, high purity, and 2.98 mmol/L in dissolved DMSO. The method presented is a general approach to assessing purity and concentration for any small organic molecule in CMC-Assist.
The Application Of Machine Learning In Analyzing Organic Compounds From Nmr Spectral Data, Nicole Maia Powell
The Application Of Machine Learning In Analyzing Organic Compounds From Nmr Spectral Data, Nicole Maia Powell
Senior Independent Study Theses
Nuclear magnetic resonance (NMR) is used in organic chemistry to identify unknown organic compounds. The data obtained from an NMR spectrometer are typically shown in the form of a spectrum, which is then analyzed by an analytical chemist. The action of analyzing a spectrum, especially one of a large and complex molecule, is a long and tedious process. In this project, Python is used to implement hierarchical clustering on NMR data obtained from an NMR spectrometer at the College of Wooster to explore its application in NMR analysis. MATLAB is used to build a decision tree from the same data, …