QSAR studies using radial distribution function for predicting A1 adenosine receptors agonists.
Bull Math Biol
; 69(1): 347-59, 2007 Jan.
Article
em En
| MEDLINE
| ID: mdl-17061056
The radial distribution function (RDF) approach has been applied to the study of the A(1) adenosine receptors agonist effect of 32 adenosine analogues. A model able to describe more than 79% of the variance in the experimental activity was developed with the use of the mentioned approach. In contrast, none of the three different approaches, including the use of 2D autocorrelations, BCUT and 3D-MORSE descriptors were able to explain more than 72% of the variance in the mentioned property with the same number of variables in the equation. In addition, we established a comparison with other models reported by us for this receptor subtype using this data set, and the RDF descriptors continue getting the best results.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Adenosina
/
Agonistas do Receptor A1 de Adenosina
/
Modelos Biológicos
Tipo de estudo:
Prognostic_studies
/
Risk_factors_studies
Limite:
Animals
Idioma:
En
Revista:
Bull Math Biol
Ano de publicação:
2007
Tipo de documento:
Article
País de afiliação:
Cuba
País de publicação:
Estados Unidos