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

The result's identifiers

  • 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>

Alternative languages

  • 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

Classification

  • 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)

Result continuities

  • 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)

Others

  • Publication year

    2017

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Mathematical Chemistry

  • ISSN

    0259-9791

  • e-ISSN

  • Volume of the periodical

    55

  • Issue of the periodical within the volume

    10

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    13

  • Pages from-to

    1951-1963

  • UT code for WoS article

    000412464900007

  • EID of the result in the Scopus database

    2-s2.0-85025088271