ATS drugs molecular structure representation using refined 3D geometric moment invariants

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985556%3A_____%2F17%3A00479217" target="_blank" >RIV/67985556:_____/17:00479217 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s10910-017-0775-3" target="_blank" >http://dx.doi.org/10.1007/s10910-017-0775-3</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10910-017-0775-3" target="_blank" >10.1007/s10910-017-0775-3</a>

Result language
angličtina
Original language name
ATS drugs molecular structure representation using refined 3D geometric moment invariants
Original language description
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. In this paper, two variants of refined 3D geometric moment invariants for ATS drug molecular structure representation are discussed. This paper is also meant for comparing the performance of these two variants. The comparison was conducted using drug chemical structures obtained from Isomer Design’s PiHKaL.info database for the ATS drugs, while non-ATS drugs are obtained randomly from ChemSpider database. The assessment highlights the best technique which is suitable to be further explored and improved in the future studies so that it is wholly attuned with ATS drug molecular similarity search domain.
Czech name
—
Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

Project
<a href="/en/project/GA15-16928S" target="_blank" >GA15-16928S: Invariants and adaptive representations of digital images</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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