Paper
9 April 2007 A neural network identification system for space-borne GCMS pattern recognition
Author Affiliations +
Abstract
We present experimental results of training a neural network to perform chemical compound identification from a portable space-borne gas chromatographic mass spectrometer (GCMS). The GCMS data has distortion, peak overlap, and noise problems. A signal processing algorithm is first applied to the GCMS to detect the peaks and to clean the MS spectra. We design neural networks to be trained on a sub-set of chemicals that are closely related in the GC graph. Each sub-neural network then identifies the compounds within the sub-set. We design the training data using mostly NIST standard MS data. The NIST mass spectral data of multiple compounds are mixed to train the neural network to identify mixed species. Back-propagation learning algorithm is used to train the neural network. Good identification results have been obtained.
© (2007) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Thomas T. Lu and Tien-Hsin Chao "A neural network identification system for space-borne GCMS pattern recognition", Proc. SPIE 6574, Optical Pattern Recognition XVIII, 65740E (9 April 2007); https://doi.org/10.1117/12.723633
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KEYWORDS
Neural networks

Neurons

Chemical compounds

Calibration

Bioalcohols

Databases

Signal processing

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