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Eccentric Connectivity Index: A Novel Highly Discriminating Topological Descriptor for Structure-Property and Structure-Activity Studies
TLDR
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. Expand
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Connective eccentricity index: a novel topological descriptor for predicting biological activity.
A simple, adjacency-cum-path length based, topological descriptor termed the connective eccentricity index has been conceptualized and its discriminating power investigated with regard toExpand
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Eccentric distance sum: A novel graph invariant for predicting biological and physical properties
Abstract Eccentric distance sum—a novel graph invariant with vast potential in structure activity/property relationships has been conceptualized in the present study. This graph invariant displayedExpand
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TOPOCHEMICAL MODELS FOR THE PREDICTION OF LIPOPHILICITY OF 1,3-DISUBSTITUTED PROPAN-2-ONE ANALOGS
In the present study, the relationship between the topochemical indices and log P values of 1,3-disubstituted propan-2-one analogs has been investigated. Three topochemical indices, Wiener'sExpand
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Relationship of Wiener's index and adjacent eccentric distance sum index with nitroxide free radicals and their precursors as modifiers against oxidative damage
Abstract The relationship of Wiener's index —a distance based topological descriptor and adjacent eccentric distance sum index —an adjacency cum distance based topological descriptor with theExpand
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Topochemical models for prediction of cyclin-dependent kinase 2 inhibitory activity of indole-2-ones
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 wellExpand
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Topological models for prediction of antihypertensive activity of substituted benzylimidazoles
Abstract The relationship of Wiener's index—a distance based topological descriptor, Zagreb group parameter— an adjacency based topological descriptor and eccentric connectivity index—an adjacencyExpand
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Application of graph theory: Models for prediction of carbonic anhydrase inhibitory activity of sulfonamides
The relationship of Wiener’s index–a distance-based topological descriptor, Zagreb group parameter – M1, an adjacency-based topological descriptor and eccentric connectivity index–anExpand
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Predicting anti-HIV activity: computational approach using a novel topological descriptor
TLDR
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 derivatives was investigated in the present study. Expand
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