Please use this identifier to cite or link to this item: https://doi.org/10.3390/molecules28052233
Title: Classification of the Residues after High and Low Order Explosions Using Machine Learning Techniques on Fourier Transform Infrared (FTIR) Spectra
Authors: Banas, Agnieszka M 
Banas, Krzysztof 
Breese, Mark BH 
Keywords: Science & Technology
Life Sciences & Biomedicine
Physical Sciences
Biochemistry & Molecular Biology
Chemistry, Multidisciplinary
Chemistry
high and low order explosions
machine learning techniques
Fourier Transform Infrared (FTIR) spectroscopy
spectral analysis
explosive residues
SPECTROSCOPY
Issue Date: Mar-2023
Publisher: MDPI
Citation: Banas, Agnieszka M, Banas, Krzysztof, Breese, Mark BH (2023-03). Classification of the Residues after High and Low Order Explosions Using Machine Learning Techniques on Fourier Transform Infrared (FTIR) Spectra. MOLECULES 28 (5). ScholarBank@NUS Repository. https://doi.org/10.3390/molecules28052233
Abstract: Forensic science is a field that requires precise and reliable methods for the detection and analysis of evidence. One such method is Fourier Transform Infrared (FTIR) spectroscopy, which provides high sensitivity and selectivity in the detection of samples. In this study, the use of FTIR spectroscopy and statistical multivariate analysis to identify high explosive (HE) materials (C-4, TNT, and PETN) in the residues after high- and low-order explosions is demonstrated. Additionally, a detailed description of the data pre-treatment process and the use of various machine learning classification techniques to achieve successful identification is also provided. The best results were obtained with the hybrid LDA-PCA technique, which was implemented using the R environment, a code-driven open-source platform that promotes reproducibility and transparency.
Source Title: MOLECULES
URI: https://scholarbank.nus.edu.sg/handle/10635/243051
ISSN: 1420-3049
DOI: 10.3390/molecules28052233
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