| Literature DB >> 19207466 |
Andrey A Toropov1, Alla P Toropova, Emilio Benfenati.
Abstract
We used simplified molecular input line entry system to construct optimal descriptors for modelling of the mutagenic potency of heteroaromatic amines by quantitative structure-activity relationships. Statistical characteristics of the model are n = 67, r(2) = 0.8639, r(2) (CV) = 0.8560, s = 0.737, F = 413 (training set); and n = 28, r(2) = 0.8760, r(2) (CV) = 0.8560, s = 0.644, F = 184 (test set). The r(2) (CV) is the cross-validation correlation coefficient.Entities:
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Year: 2009 PMID： 19207466 DOI： 10.1111/j.1747-0285.2009.00778.x
Source DB: PubMed Journal: Chem Biol Drug Des ISSN： 1747-0277 Impact factor: 2.817