Akademska digitalna zbirka SLovenije - logo
VSE knjižnice (vzajemna bibliografsko-kataložna baza podatkov COBIB.SI)
  • Structure-mutagenicity modelling using counter propagation neural networks
    Vračko, Marjan ; Mills, Denise ; Basak, Subhash C.
    The set of 95 aromatic amines and their mutagenic potency was treated with counter propagation neural network, which enables analysis of self-organising maps (SOMs) and also the prediction of ... mutagenicity. Compounds were described with four classes of descriptorsČ topostructural (TS), topochemical (TC), geometrical, and quantum chemical (QC). The models were tested on their prediction ability with leave-one-out (LOO) cross-validation method. The squares of correlation coefficient lie between 0.65 and 0.75 and are comparable with models obtained by linear methods. In addition, we analysed self-organising maps and found clusters of structurally similar compounds.
    Vir: Environmental toxicology and pharmacology. - ISSN 1382-6689 (Vol. 16, no. 1/2, 2004, str. 25-36)
    Vrsta gradiva - članek, sestavni del
    Leto - 2004
    Jezik - angleški
    COBISS.SI-ID - 2991898

Vnos na polico