Maximum topological distance-based indices as molecular descriptors for QSPR 3 : Calculation of the hydrophobicity of polyaromatic hydrocarbons

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 a...

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Detalles Bibliográficos
Autores principales:	Tueros, Matías Jorge, Castro, Eduardo Alberto, Toropov, Andrey A.
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	2001
Materias:	Química Detour matrix Hydrophobicity Topological indices Polyaromatic hydrocarbons QSAR/QSPR theory
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/131361
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

id	I19-R120-10915-131361
record_format	dspace
institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Química Detour matrix Hydrophobicity Topological indices Polyaromatic hydrocarbons QSAR/QSPR theory
spellingShingle	Química Detour matrix Hydrophobicity Topological indices Polyaromatic hydrocarbons QSAR/QSPR theory Tueros, Matías Jorge Castro, Eduardo Alberto Toropov, Andrey A. Maximum topological distance-based indices as molecular descriptors for QSPR 3 : Calculation of the hydrophobicity of polyaromatic hydrocarbons
topic_facet	Química Detour matrix Hydrophobicity Topological indices Polyaromatic hydrocarbons QSAR/QSPR theory
description	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.
format	Articulo Articulo
author	Tueros, Matías Jorge Castro, Eduardo Alberto Toropov, Andrey A.
author_facet	Tueros, Matías Jorge Castro, Eduardo Alberto Toropov, Andrey A.
author_sort	Tueros, Matías Jorge
title	Maximum topological distance-based indices as molecular descriptors for QSPR 3 : Calculation of the hydrophobicity of polyaromatic hydrocarbons
title_short	Maximum topological distance-based indices as molecular descriptors for QSPR 3 : Calculation of the hydrophobicity of polyaromatic hydrocarbons
title_full	Maximum topological distance-based indices as molecular descriptors for QSPR 3 : Calculation of the hydrophobicity of polyaromatic hydrocarbons
title_fullStr	Maximum topological distance-based indices as molecular descriptors for QSPR 3 : Calculation of the hydrophobicity of polyaromatic hydrocarbons
title_full_unstemmed	Maximum topological distance-based indices as molecular descriptors for QSPR 3 : Calculation of the hydrophobicity of polyaromatic hydrocarbons
title_sort	maximum topological distance-based indices as molecular descriptors for qspr 3 : calculation of the hydrophobicity of polyaromatic hydrocarbons
publishDate	2001
url	http://sedici.unlp.edu.ar/handle/10915/131361
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bdutipo_str	Repositorios
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Maximum topological distance-based indices as molecular descriptors for QSPR 3 : Calculation of the hydrophobicity of polyaromatic hydrocarbons

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