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TWO NEW TOPOLOGICAL INDICES TO DIFFERENTIATEHIGH AND LOW INHIBITORY ACTIVITY OF DIPHENYL SULFONE DERIVATIVES

Author
Cornwell,Edward

Cordano,Gianni

Full text
https://scielo.conicyt.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000200004
Abstract
This work presents two new topological indices, C(u) and C A(u), that permit their application to organic molecules containing oxygen, nitrogen, sulfur and halogens. These indices are obtained by modifying Schultz molecular topological index (2-MTI) and are validated by correlating the inhibitory activity of a group of diphenyl sulfone derivatives (SU). The proposed indices show that: 000a.- The use of two types of distance matrices to calculate the proposed indices does not produce significant differences in the calculated biological activity values obtained by using the corresponding regression equations. 000b.- In a set of nineteen 4-amino-4'-substituted diphenylsulfones, the new index C(u) permits to differentiate between two SU subsets by correlating it with the biological activity of these derivatives . 000c.- By applying the C(u) index to the set of the nineteen-4-aminodiphenylsulfone derivatives and to a subset of fourteen of them, it is possible to demonstrate that the correlation of biological activity with this index is in both cases better than the original Schultz index and the Kier chemical connectivity index (chi1V) order-1 valence type
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Discipline
Artes, Arquitectura y UrbanismoCiencias Agrarias, Forestales y VeterinariasCiencias Exactas y NaturalesCiencias SocialesDerechoEconomía y AdministraciónFilosofía y HumanidadesIngenieríaMedicinaMultidisciplinarias
Institutions
Universidad de ChileUniversidad Católica de ChileUniversidad de Santiago de ChileUniversidad de ConcepciónUniversidad Austral de ChileUniversidad Católica de ValparaísoUniversidad del Bio BioUniversidad de ValparaísoUniversidad Católica del Nortemore

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