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- W2027859758 abstract "Quantitative structure–activity relationship studies were performed to describe and predict the mutagenic activity of a set of 48 nitrated polycyclic aromatic hydrocarbons. From a larger pool of molecular descriptors (topological indices) we arrived at much a smaller set consisting of three correlating parameters. Such a variable selection is made using ncss software in that successive regressions were attempted using maximum‐ R 2 method. The results are critically discussed using a variety of statistical parameters. Our results have shown that connectivity and shape type indices together with the distance‐based Wiener index ( W ) play a dominating role in modelling of mutagenicity (logTA100). The predictive ability of the models is discussed on the basis of cross‐validated parameters." @default.
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- W2027859758 date "2008-01-30" @default.
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- W2027859758 title "Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons: A QSAR Investigation" @default.
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- W2027859758 doi "https://doi.org/10.1111/j.1747-0285.2008.00629.x" @default.
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