Quantum-connectivity descriptors in modeling solubility of environmentally important organic compounds
Quantum-connectivity indices are topographic descriptors combining quantum-chemical and topological information. They are used to describe the water solubility of a noncongeneric data set of organic compounds. A QSPR model is obtained with two quantum-connectivity indices that accounts for more than...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 25(2004), 14 vom: 15. Nov., Seite 1787-96 |
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| Weitere Verfasser: | , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2004
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |