TY - GEN
T1 - Using 3D hahn moments as a computational representation of ats drugs molecular structure
AU - Pratama, Satrya Fajri
AU - Muda, Azah Kamilah
AU - Choo, Yun Huoy
AU - Carbó-Dorca, Ramon
AU - Abraham, Ajith
N1 - Publisher Copyright:
© The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerland AG 2021.
PY - 2021
Y1 - 2021
N2 - The campaign against drug abuse is fought by all countries, most notably on ATS drugs. The technical limitations of the current test kits to detect new brand of ATS drugs present a challenge to law enforcement authorities and forensic laboratories. Meanwhile, new molecular imaging devices which allowed mankind to characterize the physical 3D molecular structure have been recently introduced, and it can be used to remedy the limitations of existing drug test kits. Thus, a new type of 3D molecular structure representation technique should be developed to cater the 3D molecular structure acquired physically using these molecular imaging devices. One of the applications of image processing methods to represent a 3D image is 3D moments, and this study formulates a new 3D moments technique, namely 3D Hahn moments, to represent the 3D molecular structure of ATS drugs. The performance of the proposed technique was analysed using drug chemical structures obtained from UNODC for the ATS drugs, while non-ATS drugs are obtained randomly from ChemSpider database. The evaluation shows the technique is qualified to be further explored in the future works to be fully compatible with ATS drug identification domain.
AB - The campaign against drug abuse is fought by all countries, most notably on ATS drugs. The technical limitations of the current test kits to detect new brand of ATS drugs present a challenge to law enforcement authorities and forensic laboratories. Meanwhile, new molecular imaging devices which allowed mankind to characterize the physical 3D molecular structure have been recently introduced, and it can be used to remedy the limitations of existing drug test kits. Thus, a new type of 3D molecular structure representation technique should be developed to cater the 3D molecular structure acquired physically using these molecular imaging devices. One of the applications of image processing methods to represent a 3D image is 3D moments, and this study formulates a new 3D moments technique, namely 3D Hahn moments, to represent the 3D molecular structure of ATS drugs. The performance of the proposed technique was analysed using drug chemical structures obtained from UNODC for the ATS drugs, while non-ATS drugs are obtained randomly from ChemSpider database. The evaluation shows the technique is qualified to be further explored in the future works to be fully compatible with ATS drug identification domain.
KW - 3D moments
KW - ATS drugs
KW - Drugs identification
KW - Hahn moments
KW - Molecular similarity
KW - Molecular structure representation
UR - http://www.scopus.com/inward/record.url?scp=85089719347&partnerID=8YFLogxK
U2 - 10.1007/978-3-030-49345-5_10
DO - 10.1007/978-3-030-49345-5_10
M3 - Conference contribution
AN - SCOPUS:85089719347
SN - 9783030493448
T3 - Advances in Intelligent Systems and Computing
SP - 90
EP - 101
BT - Proceedings of the 11th International Conference on Soft Computing and Pattern Recognition, SoCPaR 2019
A2 - Abraham, Ajith
A2 - Jabbar, M.A.
A2 - Tiwari, Sanju
A2 - Jesus, Isabel M.S.
PB - Springer Nature Link
T2 - 11th International Conference on Soft Computing and Pattern Recognition, SoCPaR 2019, and 11th World Congress on Nature and Biologically Inspired Computing, NaBIC 2019
Y2 - 13 December 2019 through 15 December 2019
ER -