Literature DB >> 978443

Molecular connectivity V: connectivity series concept applied to density.

L B Kier, W J Murray, M Randić, L H Hall.   

Abstract

The concept of the expanded series of the connectivity index, chi, is introduced and applied to a consideration of the density of three classes of molecules. Correlations are found using two terms in the expanded series. A preliminary reflection on the extended series terms is made. It is noted that the regression equation constant in the three studies is close to the phase volume, 0.7402, and the possible significance of this fact is discussed.

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Year:  1976        PMID: 978443     DOI: 10.1002/jps.2600650824

Source DB:  PubMed          Journal:  J Pharm Sci        ISSN: 0022-3549            Impact factor:   3.534


  10 in total

1.  Usefulness of graphical invariants in quantitative structure-activity correlations of tuberculostatic drugs of the isonicotinic acid hydrazide type.

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Journal:  J Mol Model       Date:  2003-12-23       Impact factor: 1.810

2.  Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).

Authors:  Scott Oloff; Shuxing Zhang; Nagamani Sukumar; Curt Breneman; Alexander Tropsha
Journal:  J Chem Inf Model       Date:  2006 Mar-Apr       Impact factor: 4.956

3.  True prediction of lowest observed adverse effect levels.

Authors:  R García-Domenech; J V de Julián-Ortiz; E Besalú
Journal:  Mol Divers       Date:  2006-05-24       Impact factor: 2.943

4.  Topochemical models for the prediction of voltage-gated sodium channel binding activity of hydantoins and related non-hydantoins.

Authors:  Meenal Gupta; Anil Kumar Madan
Journal:  J Mol Model       Date:  2006-09-07       Impact factor: 1.810

Review 5.  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

6.  Application of molecular topology to the prediction of mosquito repellents of a group of terpenoid compounds.

Authors:  R García-Domenech; J Aguilera; A El Moncef; S Pocovi; Jorge Gálvez
Journal:  Mol Divers       Date:  2009-07-04       Impact factor: 2.943

7.  Quantitative structure-activity relationship (QSAR) studies of quinolone antibacterials against M. fortuitum and M. smegmatis using theoretical molecular descriptors.

Authors:  Manish C Bagchi; Denise Mills; Subhash C Basak
Journal:  J Mol Model       Date:  2006-08-24       Impact factor: 1.810

8.  A graph-theoretical approach to the prediction of physical properties of alkanes based on the distance matrix.

Authors:  J F Caputo; K J Cook
Journal:  Pharm Res       Date:  1989-09       Impact factor: 4.200

9.  Study on QSTR of benzoic acid compounds with MCI.

Authors:  Zuojing Li; Yezhi Sun; Xinli Yan; Fanhao Meng
Journal:  Int J Mol Sci       Date:  2010-03-24       Impact factor: 5.923

10.  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

  10 in total

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