An Artificial Neural Network (ANN) to Recognize Bio-Molecules Based on their Nuclear Magnetic Resonance (NMR) Spectra
نویسنده
چکیده
This paper describes the design and implementation of an Artificial Neural Network (ANN) to recognize an unknown biochemical compound based on its Nuclear Magnetic Resonance (NMR) Spectrum. The value of this computational tool is in the time saved in biochemistry research. With an automated tool, the biochemist does not have to browse through large catalogs of NMR spectra to identify an unknown sample. Since different NMR spectrometers use different parameters such as magnetic field strength and RF frequency among others, it is practically impossible that 2 chemists record exactly the same NMR spectrum for the exact same compound. These variations in Chemical Shift (CS) and NMR signal intensity, makes an ANN the best candidate to resolve the problem.
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