Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
Experimental and theoretical results for retention index of a set of 20 beta-diketones are given. The quantitative structure-chromatographic retention relationships (QSRR) theory is employed and six molecular descriptors are chosen to compute the fitting polynomials. Multiple regression analysis yie...
| Autores principales: | , , , , |
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| Formato: | Articulo |
| Lenguaje: | inglés |
| Publicado: |
2001
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/29018 |
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| _version_ | 1862014478728560640 |
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| author | Romanelli, Gustavo Pablo Jios, Jorge Luis Autino, Juan Carlos Cafferata, Lázaro F. R. Castro, Eduardo Alberto |
| author_facet | Romanelli, Gustavo Pablo Jios, Jorge Luis Autino, Juan Carlos Cafferata, Lázaro F. R. Castro, Eduardo Alberto |
| author_sort | Romanelli, Gustavo Pablo |
| collection | Repositorio Sedici - Comunidad |
| description | Experimental and theoretical results for retention index of a set of 20 beta-diketones are given. The quantitative structure-chromatographic retention relationships (QSRR) theory is employed and six molecular descriptors are chosen to compute the fitting polynomials. Multiple regression analysis yields satisfactory results when one resorts to several variables equations, instead of computing just one-variable formulae. Average absolute deviations from experimental results are rather low, which seems to point out the suitability of the present approach. |
| format | Articulo |
| id | I89-R6-10915-29018 |
| institution | UNLP - Facultad de Arquitectura y Urbanismo |
| institution_str | I-89 |
| language | English |
| publishDate | 2001 |
| record_format | dspace |
| repository_str | R-6 |
| spelling | I89-R6-10915-290182026-02-24T17:30:38Z http://sedici.unlp.edu.ar/handle/10915/29018 Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones Romanelli, Gustavo Pablo Jios, Jorge Luis Autino, Juan Carlos Cafferata, Lázaro F. R. Castro, Eduardo Alberto 2001 2013-08-23T12:46:42Z en Ciencias Exactas Química β-diketones QSRR theory retention index Cetonas Cromatografía de Gases Experimental and theoretical results for retention index of a set of 20 beta-diketones are given. The quantitative structure-chromatographic retention relationships (QSRR) theory is employed and six molecular descriptors are chosen to compute the fitting polynomials. Multiple regression analysis yields satisfactory results when one resorts to several variables equations, instead of computing just one-variable formulae. Average absolute deviations from experimental results are rather low, which seems to point out the suitability of the present approach. Facultad de Ciencias Exactas Articulo Articulo http://creativecommons.org/licenses/by/3.0/ Creative Commons Attribution 3.0 Unported (CC BY 3.0) application/pdf 897-905 |
| spellingShingle | Ciencias Exactas Química β-diketones QSRR theory retention index Cetonas Cromatografía de Gases Romanelli, Gustavo Pablo Jios, Jorge Luis Autino, Juan Carlos Cafferata, Lázaro F. R. Castro, Eduardo Alberto Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones |
| title | Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones |
| title_full | Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones |
| title_fullStr | Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones |
| title_full_unstemmed | Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones |
| title_short | Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones |
| title_sort | relationships between kovats retention indices and molecular descriptors of 1 2 hydroxy 3 arylpropane 1 3 diones |
| topic | Ciencias Exactas Química β-diketones QSRR theory retention index Cetonas Cromatografía de Gases |
| url | http://sedici.unlp.edu.ar/handle/10915/29018 |
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