INVESTIGADORES
ENRIZENRIZ] ricardoricardo] danieldaniel]
artículos
Título:
Analytical Aproximation to the Accessible Surface Area as a Topological Parameter
Autor/es:
L.N SANTAGATA; J.M. LUCO; ENRIZENRIZ] R D
Revista:
Journal of the Argentine Chemical Society
Editorial:
ASOCIACIÓN QUÍMICA ARGENTINA
Referencias:
Lugar: Buenos Aires; Año: 1996 vol. 84 p. 573 - 573
ISSN:
0365-0375
Resumen:
An analytica/ approximation to the molecular van der Waals surface (SMVW) expressed as a function ofinteratomic distances and its application to QSAR study of cytoprotective agents is reported. In addition, therelationship among Electrotopological-State lndex, SMVW and Atomic Partía/ Charge is a/so evaluated.Our results indicate the significant role of SMVW at 8-carbon atom to eva/uate the cytoprotective effeá ofMichael acceptors; showing that the SMVW could be useful in developing QSAR relations for a variety ofbiologica/ properties. Besides, these results confirm the meaning of the E-state index previous/y reported by Kierand Hall.INTRODUCCION
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