QSPR modeling aqueous solubility of polychlorinated biphenyls by optimization of correlation weights of local and global graph invariants
Aqueous solubilities of polychlorinated biphenyls have been correlated with topological molecular descriptors which are functions of local and global invariants of labeled hydrogen filled graphs. Morgan extended connectivity and nearest neighboring codes have been used as local graph invariants. The...
| Autores principales: | Castro, Eduardo Alberto, Toropov, Andrey A., Nesterova, Alexandra I., Nabiev, Ozad M. |
|---|---|
| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2004
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/84407 |
| Aporte de: |
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