Literature DB >> 11410032

The variable molecular descriptors based on distance related matrices.

M Randić1, M Pompe.   

Abstract

Recently variable molecular connectivity index and variable paths have been tested as molecular descriptors in several structure-property regressions. Here we outline the construction of several variable molecular descriptors, derived from the distance matrix and the "reversed" distance matrix. This includes the variable Balaban J index and the "reversed" Balaban index 1/J as well as a novel index 1/JJ derived from J and 1/J. All the variable descriptors mentioned were constructed by augmenting the distance matrix by replacing the diagonal zeroes with the variables x, y, z,.

Year:  2001        PMID: 11410032     DOI: 10.1021/ci0001029

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN: 0095-2338


  3 in total

1.  On use of the variable Zagreb vM2 index in QSPR: boiling points of benzenoid hydrocarbons.

Authors:  Sonja Nikolić; Ante Milicević; Nenad Trinajstić; Albin Jurić
Journal:  Molecules       Date:  2004-12-31       Impact factor: 4.411

Review 2.  Variable connectivity index as a tool for modeling structure-property relationships.

Authors:  Milan Randić; Matevz Pompe; Denise Mills; Subhash C Basak
Journal:  Molecules       Date:  2004-12-31       Impact factor: 4.411

3.  Using variable and fixed topological indices for the prediction of reaction rate constants of volatile unsaturated hydrocarbons with OH radicals.

Authors:  Matevz Pompe; Marjan Veber; Milan Randić; Alexandru T Balaban
Journal:  Molecules       Date:  2004-12-31       Impact factor: 4.411

  3 in total

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