### Abstract

An algorithm for the computation of the hyper-Wiener index ω of trees (i.e. branched acyclic molecules) is presented. The input for the algorithm is the list of connections. Multiple linear regression equation was derived between boiling points, ω and the flexibility index p in series of acyclic heptane, octane and nonane isomers. The multiple correlation coefficients obtained for the regression equations were equal to r = 0.992 (heptane), r = 0.975 (octane) and r = 0.960 (nonane).

Original language | English |
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Pages (from-to) | 395-401 |

Number of pages | 7 |

Journal | Computers and Chemistry |

Volume | 19 |

Issue number | 4 |

DOIs | |

Publication status | Published - 1995 |

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### ASJC Scopus subject areas

- Biotechnology
- Chemical Engineering(all)
- Applied Microbiology and Biotechnology

### Cite this

*Computers and Chemistry*,

*19*(4), 395-401. https://doi.org/10.1016/0097-8485(95)00048-W

**An algorithm for the computation of the hyper-Wiener index for the characterization and discrimination of branched acyclic molecules.** / Linert, W.; Renz, F.; Kleestorfer, K.; Lukovits, I.

Research output: Contribution to journal › Article

*Computers and Chemistry*, vol. 19, no. 4, pp. 395-401. https://doi.org/10.1016/0097-8485(95)00048-W

}

TY - JOUR

T1 - An algorithm for the computation of the hyper-Wiener index for the characterization and discrimination of branched acyclic molecules

AU - Linert, W.

AU - Renz, F.

AU - Kleestorfer, K.

AU - Lukovits, I.

PY - 1995

Y1 - 1995

N2 - An algorithm for the computation of the hyper-Wiener index ω of trees (i.e. branched acyclic molecules) is presented. The input for the algorithm is the list of connections. Multiple linear regression equation was derived between boiling points, ω and the flexibility index p in series of acyclic heptane, octane and nonane isomers. The multiple correlation coefficients obtained for the regression equations were equal to r = 0.992 (heptane), r = 0.975 (octane) and r = 0.960 (nonane).

AB - An algorithm for the computation of the hyper-Wiener index ω of trees (i.e. branched acyclic molecules) is presented. The input for the algorithm is the list of connections. Multiple linear regression equation was derived between boiling points, ω and the flexibility index p in series of acyclic heptane, octane and nonane isomers. The multiple correlation coefficients obtained for the regression equations were equal to r = 0.992 (heptane), r = 0.975 (octane) and r = 0.960 (nonane).

UR - http://www.scopus.com/inward/record.url?scp=0000325555&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000325555&partnerID=8YFLogxK

U2 - 10.1016/0097-8485(95)00048-W

DO - 10.1016/0097-8485(95)00048-W

M3 - Article

VL - 19

SP - 395

EP - 401

JO - Computational Biology and Chemistry

JF - Computational Biology and Chemistry

SN - 1476-9271

IS - 4

ER -