Improved molecular descriptors based on the optimization of correlation weights of local graph invariants
We report the calculation of boiling points for several alkyl alcohols through the use of improved molecular descriptors based on the optimization of correlation weights of local invariants of graphs. As local invariants we have used the presence of different chemical elements (i.e. C, H, and O) and...
Guardado en:
| Autores principales: | Krenkel, Germán, Castro, Eduardo A., Toropov, Andrey A. |
|---|---|
| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2001
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/37868 http://www.mdpi.com/1422-0067/2/2/57 |
| Aporte de: |
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