| Abstract
| - A novel, distance-cum-adjacency topological descriptor, termed aseccentric connectivity index, has beenconceptualized, and its discriminating power has been investigated withregard to physical/biological propertiesof molecules. Correlation coefficients ranging from 95% to 99%were obtained using eccentric connectivityindex in various datasets with regard to physical properties of diversenature. These correlations were farsuperior to those correspondingly derived from the Wiener index.For structure−activity studies, a dataset,comprised of 94 substituted piperidinyl methyl ester and methylenemethyl ester analogs as analgesic agents,was selected. Values of the eccentric connectivity index, theWiener index, and Randić's molecularconnectivity index were calculated, and active ranges were identified.Good correlations between topologicaldescriptors and analgesic activity of these analogs were obtained.Eccentric connectivity index exhibitedhighest predictibility of the order of 86%. High discriminatingpower as revealed by excellent correlationsobtained from structure−property and structure−activity studiesoffers an eccentric connectivity index ofvast potential in QSPR/QSAR.
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