Study on relationship between partition coefficient of compounds and topological indices

In this work, the A(m) indices and the molecular connectivity indices of fifty aromatic compounds have been calculated, and applied for studying on relationship between partition coefficient and structure of aromatic compounds. The results demonstrate that the property of compounds can be described better with revisionary A(m) indices.

Study on structure-property relationships between color reagents and sensitivity of color reactions with yttrium by topological indices

In this paper, three topological indices, Am-1, Am-2, and Am-3, multivariate analysis in structure-property studies. The topological indices of twenty asymmetrical phosphosphono bisazo derivatives of chromotropic acid have been calculated. The structure-property relationships between color reagents and molar absorptivity of color reactions with yttrium have been studied by A(m) indices and structure selective factors. Good results have been obtained by using correlation equation to predict the molar absorptivity of new color reagents.

Studies on structure-property relationship between color reagents and contrast of their color reactions with cerium by topological indices

In this paper, three topological indices A(m1), A(m2) and A(m3) have been applied to multivariate analysis in structure property relationship studies. The topological indices oi fourty-three asymmetrical phosphono bisazo derivatives of chromotropic acid have been calculated, The structure-property relationship between color reagents and contrast of color reactions with cerium has been studied by A, indices and structure selective factors, Good results have been obtained.

A new method of predicting of gas chromatographic retention indices for polychlorinated dibenzofurans (PCDFs)

A new method has been developed to describe the quantitative relationship between molecular structures of PCDFs and their gas chromatographic retention indices on a 30-m fused silica column coated with DB-5 stationary phase. The regression equation is derived with a multiple correlation coefficient greater than 0.9995. The highest residual is 20 index units. The standard deviation is less than 7 index units. Using this regression equation, the retention indices of PCDFs for which data is not available have also been predicted. (C) 2000 Elsevier Science Ltd. All rights reserved.