Representing ATS drugs molecular structure using 3D orthogonal Fourier-Mellin moments

Satrya Fajri Pratama, Noor Azilah Muda, Fadzilah Salim

Research output: Contribution to journalArticlepeer-review


The campaign against drug abuse is fought by all countries, most notably on ATS drugs. The identification process of ATS drugs depends heavily on its molecular structure. However, the process becomes more unreliable due to the introduction of new, sophisticated, and increasingly complex ATS molecular structures. Therefore, distinctive features of ATS drug molecular structure need to be accurately obtained. This paper formulates a novel 3D orthogonal Fourier-Mellin moments-based molecular descriptor to represent the drug molecular structure. The performance of the proposed technique was analyzed 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 proposed technique is qualified to be further explored and adapted in the future works to be fully compatible with ATS drug identification domain.

Original languageEnglish
Pages (from-to)135-144
Number of pages10
JournalInternational Journal of Computer Information Systems and Industrial Management Applications
Publication statusPublished - 2017


  • 3D moments
  • ATS drugs
  • Drugs identification
  • Molecular descriptors
  • Molecular similarity
  • Orthogonal fourier-mellin moments


Dive into the research topics of 'Representing ATS drugs molecular structure using 3D orthogonal Fourier-Mellin moments'. Together they form a unique fingerprint.

Cite this