INVESTIGADORES
TUEROS Matias Jorge
artículos
Título:
Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 3-Calculation of the Hydrophobicity of Polyaromatic Hydrocarbons
Autor/es:
M.J. TUEROS; E.A. CASTRO; A.A. TOROPOV
Revista:
JOURNAL OF MOLECULAR MODELING - (Online)
Editorial:
Springer
Referencias:
Año: 2001 vol. 7 p. 178 - 183
ISSN:
0948-5023
Resumen:
Maximum topological distance-based indices are used together with standard ones to compute the hydrophobicity of polyaromatic hydrocarbons. Several variables and higher-order regression equations are computed and shown to be excellent predictors for the chosen physical-chemistry property. This new alternative offers advantages the usual manner of deriving global topological indices for QSPR. Some possible future extensions are pointed out.
