VSE knjižnice (vzajemna bibliografsko-kataložna baza podatkov COBIB.SI)
  • Some findings relevant to the mechanistic interpretation in the case of predictive models for carcinogenicity based on the counter propagation artificial neural network
    Fjodorova, Natalja Stanislavovna ; Novič, Marjana
    The goal of the study was to contribute to a better mechanistic understanding of so-called ĆgeneralĆ QSAR models for non-congeneric chemicals based on the counter propagation artificial neural ... network (CP ANN). Possible mechanisms ofaction was proofed using the Toxtree expert system based on structural alerts (SAs) for carcinogenicity. We have illustrated how statistically selected MDL descriptors, which refer to topological characteristics as well as to polarizability and charge distribution related to reactivity, are correlated with particular chemical classes (containing carcinogenic SA) with the recognized mechanistic link to the carcinogenic activity and consequently with the carcinogenic potency. Mechanistic insight in CP ANN models was demonstrated using an inherent mapping technique (i.e. Kohonen maps)
    Vir: Journal of computer-aided molecular design. - ISSN 0920-654X (Vol. 25, no. 12, 2011, str. 1159-1169)
    Vrsta gradiva - e-članek
    Leto - 2011
    Jezik - angleški
    COBISS.SI-ID - 4861722

    Povezava(-e):

    http://www.springerlink.com/content/cp62l416670u1735/
    DOI

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