On the Calculation of the Molecular Descriptor χ’/χ
The molecular descriptor χ’/χ was recently introduced by Randić. The explicit formula for calculation of the χ’/χ index is derived. The formula provides an easy method to calculate the χ’/χ index for any connected graph. The advantages of the formula over the algorithm proposed by Randić et al. are...
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| Veröffentlicht in: | Journal of Chemical Information and Computer Sciences 1998-09, Vol.38 (5), p.889-892 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | The molecular descriptor χ’/χ was recently introduced by Randić. The explicit formula for calculation of the χ’/χ index is derived. The formula provides an easy method to calculate the χ’/χ index for any connected graph. The advantages of the formula over the algorithm proposed by Randić et al. are pointed out. |
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| ISSN: | 0095-2338 1549-960X |
| DOI: | 10.1021/ci980034e |