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The discriminating power of <jats:italic>the augmented eccentric connectivity index<\/jats:italic> was found to be far superior when compared to that of the distance based Wiener\u2018s index and adjacency based molecular connectivity index. <jats:italic>This index did not exhibit any degeneracy amongst all possible structures with three, four and five vertices.<\/jats:italic> The values of augmented eccentric connectivity index, Wiener's index and first\u2010order molecular connectivity index of each of the 72 3\u2010aminopyridin\u20102(1<jats:italic>H<\/jats:italic>)\u2010one analogues comprising the dataset were computed using in\u2010house computer program. The resulting data was analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each of the compounds involved in the dataset using these models which was then compared with the reported anti\u2010HIV activity. High degree of prediction ranging from 81% to 89% was observed using models based upon these topological descriptors. Exceptionally high discriminating power amalgamated with decreased degeneracy of the proposed index, offers a vast potential for structure\u2010activity\/property studies.<\/jats:p>","DOI":"10.1002\/qsar.200430918","type":"journal-article","created":{"date-parts":[[2006,4,19]],"date-time":"2006-04-19T09:50:58Z","timestamp":1145440258000},"page":"813-823","source":"Crossref","is-referenced-by-count":39,"title":["Model for Prediction of Anti\u2010HIV Activity of 2\u2010Pyridinone Derivatives Using Novel Topological Descriptor"],"prefix":"10.1002","volume":"25","author":[{"given":"Sanjay","family":"Bajaj","sequence":"first","affiliation":[]},{"given":"S.\u2005S.","family":"Sambi","sequence":"additional","affiliation":[]},{"given":"S.","family":"Gupta","sequence":"additional","affiliation":[]},{"given":"A.\u2005K.","family":"Madan","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2006,10,9]]},"reference":[{"key":"e_1_2_1_1_2","first-page":"179","volume":"18","author":"Randic M.","year":"1994","journal-title":"New J. 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