Extended topological indices and prediction of activities of chiral compounds

The activities/properties of two molecules with identical formula but different configuration states of the asymmetric atoms are different. Thus, usually the common topological indices are not suitable. In this study, the chiral topological indices were obtained by extending A(mi) indices suggested by our laboratory and molecular connectivity indices. The modified topologial indices have been used for the studies on D2 for dopamine receptor and a receptor activities of fourteen N-alkylated 3-(3-hydroxypyenyl)-piperidines. It has been observed that selected variables possess low correlations. The results obtained by using multiple regression analysis and artificial neural networks are satisfactory.

Correlation analysis of the structures and gas-liquid chromatographic retention indices of amines

Quantitative structure-retention relationship(QSRR) was studied for amines to gas-liquid chromatography on three stationary phases of different polarities with the topological indices A(m) (A(m1), A(m2), A(m3)) and gravitational index GI. The algorithm of "Leaps and Bounds" was performed for selection of the variables. And the multi-regression and the quasi-Newton neural networks were employed for the calculation with better results.

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.

Le discours eurorégional. Indices convergents de légitimation d’un espace institutionnel

À partir d’un corpus de sites web institutionnels publiés par les eurorégions, l’article explore les indices discursifs qui tendent à légitimer la notion d’espace eurorégional. L’analyse lexicométrique et qualitative des énoncés multilingues aboutit au double constat d’une conformité aux objectifs normatifs de la politique européenne et d’une uniformisation des représentations eurorégionales, en dépit des langues et des zones transfrontalières émettrices.

Indices de sorción de fósforo en algunos molisoles de la pradera pampeana

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Differences in performance among four indices used to evaluate diversity in planktonic ecosystems

The performance of four common estimators of diversity are investigated using calanoid copepod data from the Continuous Plankton Recorder (CPR) survey. The region of the North Atlantic and the North Sea was divided into squares of 400 nautical miles for each 2-month period. For each 144 possible cases, Pielou's pooled quadrat method was performed with the aims of determining asymptotic diversity and investigating the CPR sample-size dependence of diversity estimators. It is shown that the performance of diversity indices may greatly vary in space and time (at a seasonal scale). This dependence is more pronounced in higher diverse environments and when the sample size is small. Despite results showing that all estimators underestimate the `actual' diversity, comparison of sites remained reliable from a few pooled CPR samples. Using more than one CPR sample, the Gini coefficient appears to be a better diversity estimator than any other indices and spatial or temporal comparisons are highly satisfactory. In situations where comparative studies are needed but only one CPR sample is available, taxonomic richness was the preferred method of estimating diversity. Recommendations are proposed to maximise the efficiency of diversity estimations with the CPR data.