Molecules 2004, 9(12), 1208-1221; doi:10.3390/91201208
Article

On Use of the Variable Zagreb vM2 Index in QSPR: Boiling Points of Benzenoid Hydrocarbons

1,* email, 1, 1 and 2
Received: 2 June 2004; in revised form: 23 August 2004 / Accepted: 25 August 2004 / Published: 31 December 2004
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract: The variable Zagreb vM2 index is introduced and applied to the structure-boiling point modeling of benzenoid hydrocarbons. The linear model obtained (thestandard error of estimate for the fit model Sfit=6.8 oC) is much better than thecorresponding model based on the original Zagreb M2 index (Sfit=16.4 oC). Surprisingly,the model based on the variable vertex-connectivity index (Sfit=6.8 oC) is comparable tothe model based on vM2 index. A comparative study with models based on the vertex-connectivity index, edge-connectivity index and several distance indices favours modelsbased on the variable Zagreb vM2 index and variable vertex-connectivity index.However, the multivariate regression with two-, three- and four-descriptors givesimproved models, the best being the model with four-descriptors (but vM2 index is notamong them) with Sfit=5 oC, though the four-descriptor model contaning vM2 index isonly slightly inferior (Sfit=5.3 oC).
Keywords: Zagreb M2 index; variable Zagreb vM2 index; QSPR modeling; benzenoid hydrocarbons; variable connectivity index; distance indices
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MDPI and ACS Style

Nikolića, S.; Miličević, A.; Trinajstić, N.; Jurić, A. On Use of the Variable Zagreb vM2 Index in QSPR: Boiling Points of Benzenoid Hydrocarbons. Molecules 2004, 9, 1208-1221.

AMA Style

Nikolića S, Miličević A, Trinajstić N, Jurić A. On Use of the Variable Zagreb vM2 Index in QSPR: Boiling Points of Benzenoid Hydrocarbons. Molecules. 2004; 9(12):1208-1221.

Chicago/Turabian Style

Nikolića, Sonja; Miličević, Ante; Trinajstić, Nenad; Jurić, Albin. 2004. "On Use of the Variable Zagreb vM2 Index in QSPR: Boiling Points of Benzenoid Hydrocarbons." Molecules 9, no. 12: 1208-1221.


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