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A novel, distance-cum-adjacency topological descriptor, termed as eccentric connectiVity index, has been conceptualized, and its discriminating power has been investigated with regard to physical/biological properties of molecules. Correlation coefficients ranging from 95% to 99% were obtained using eccentric connectivity index in various datasets with(More)
The topological indices were used to encode the structureal features of cephalosporins. Both topostructural and topochemical versions of a distance based descriptor, three adjacency based descriptors and five distance-cum-adjacency based descriptors were calculated. The values of 18 indices for each cephalosporin in the dataset were computed using an(More)
OBJECTIVE The primary aim was to investigate the relative importance of the adipocytes vs the nonfat cells present in human adipose tissue with respect to release of immunoreactive tumor necrosis factor-alpha (TNFalpha). The second aim was to examine the correlation between body mass index (BMI) and the subsequent release of adiponectin and TNFalpha by(More)
Highly discriminating adjacency-cum-distance based topochemical indices termed as superaugmented eccentric connectivity topochemical indices for quantitative structure-activity and structure-property relationships (QSAR/QSPR) have been conceptualized in the present study. These indices were found to exhibit high sensitivity towards the presence and relative(More)
Objective:The purpose of this study was to determine the relative distribution of omentin and visfatin mRNA in human epicardial, peri-internal mammary, upper thoracic, upper abdominal and leg vein subcutaneous adipose tissue as well as the distribution of omentin in the nonfat cells and adipocytes of human omental adipose tissue.Background:Omentin is found(More)
A simple, adjacency-cum-path length based, topological descriptor termed the connective eccentricity index has been conceptualized and its discriminating power investigated with regard to antihypertensive activity. A data set consisting of 81 derivatives of N-benzylimidazole was selected for the present investigation. These derivatives are potent,(More)
New-generation highly discriminating topological descriptors, termed superaugmented eccentric connectivity indices ( SA ξc), have been conceptualized in the present study. The values of SA ξc for all the possible structures of three, four, and five vertices were computed using an in-house computer program. The sensitivity to branching, discriminating power,(More)
The discriminating power of a novel topological descriptor termed as eccentric adjacency index in the estimation of anti-HIV activity, for a data set of 107 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) derivatives was investigated in the present study. The value of eccentric adjacency index of each derivative was computed and active range was(More)
The relationship between molecular connectivity indices and the antiinflammatory activity of a series of pyrazole carboxylic acid hydrazide analogs has been investigated. The values of molecular connectivity index, valence molecular connectivity index, and a modified index, termed as atomic molecular connectivity index for 76 compounds, were computed and(More)
The relationship between the topochemical indices and cyclin-dependent kinase 2 (CDK2) inhibitory activity of indole-2-ones has been investigated. The relationship of topochemical versions of well known topological indices of Wiener's index--a distance-based topological descriptor, molecular connectivity index, an adjacency-based topological descriptor and(More)