Molecular descriptors – an useful tool for assessing the physico-chemical properties of hallucinogenic drugs of abuse

  • Adelina Ion Dunarea de Jos University of Galati
  • Mirela Praisler Dunarea de Jos University of Galati
  • Steluta Gosav Dunarea de Jos University of Galati
DOI: https://doi.org/10.35219/ann-ugal-math-phys-mec.2021.1.04
Keywords: Hallucinogenic amphetamines, molecular descriptors

Abstract

Molecular descriptors play a fundamental role in chemistry and pharmaceutical sciences, being defined as a way to transform molecules into a set of numbers, allowing the mathematical assessment of the chemical information characterizing a molecule. This study presents the usefulness of molecular descriptors for the determination of physico-chemical properties of a series of new hallucinogenic amphetamines. Molecular descriptors of these compounds was performed with the Dragon 5.5 software. The chemometric processing of the information allowed the determination of structural correlations (similarities) between this class of designer drugs and an unknown compound.

Published
2021-11-12
How to Cite
Ion, A., Praisler, M. and Gosav, S. (2021) “Molecular descriptors – an useful tool for assessing the physico-chemical properties of hallucinogenic drugs of abuse”, Analele Universității ”Dunărea de Jos” din Galați. Fascicula II, Matematică, fizică, mecanică teoretică / Annals of the ”Dunarea de Jos” University of Galati. Fascicle II, Mathematics, Physics, Theoretical Mechanics, 44(1), pp. 26-29. doi: https://doi.org/10.35219/ann-ugal-math-phys-mec.2021.1.04.
Issue
Vol 44 No 1 (2021)
Section
Articles

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