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Quantitative structure-property relationships for colour reagents and their colour reactions with ytterbium using regression analysis and computational neural networks

✍ Scribed by Hua Li; Lu Xu; Yiqiu Yang; Qiang Su


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
426 KB
Volume
321
Category
Article
ISSN
0003-2670

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✦ Synopsis


In this paper, the new topological indices A~t-A,o suggested in our laboratory and molecular connectivity indices have been applied to multivariate analysis in structure-property studies. The topological indices of twen|y asymmetrical phosphono bisazo derivatives of chromotmpic acid have been calculated. The stnvcture-pm~rty relationships between colour reagents and their colour reactions with ytterbium have been studied by A xt-A i3 indices and molecular conne~vily indices with satisfactory results. Multiple regression analysis and neural networks were employed simultaneons~ in this study.