INVESTIGADORES
ROMANELLI Gustavo Pablo
artículos
Título:
Modeling the Solubility of Aliphatic Alcohols via Molecular Descriptors
Autor/es:
G. P. ROMANELLI; C. M. MARTINO; E. A. CASTRO
Revista:
JOURNAL OF THE CHEMICAL SOCIETY OF PAKISTAN
Editorial:
CHEM SOC PAKISTAN
Referencias:
Año: 2001 vol. 23 p. 195 - 199
ISSN:
0253-5106
Resumen:
We compare several QSPR models for predicting the aqueous solubility of aliphatic alcohols on the basis of physical (structural and electronic) descriptors. Results are compared with previously published data obtained from topological descriptors and with available experimental results. It is noted that there is a remarkable improvement on going from linear models in one variable to the quadratic equations in several variables. Some further possible extensions are discussed.
