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

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 ac...

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Autores principales:	Cornwell,Edward, Cordano,Gianni
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2003
Materias:	Topological indices diphenylsulfone biological activity electronegativity actual atomic distance
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000200004
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spelling	oai:scielo:S0717-970720030002000042004-01-29TWO NEW TOPOLOGICAL INDICES TO DIFFERENTIATEHIGH AND LOW INHIBITORY ACTIVITY OF DIPHENYL SULFONE DERIVATIVESCornwell,EdwardCordano,Gianni Topological indices diphenylsulfone biological activity electronegativity actual atomic distance 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 typeinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.48 n.2 20032003-06-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000200004en10.4067/S0717-97072003000200004
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	Topological indices diphenylsulfone biological activity electronegativity actual atomic distance
spellingShingle	Topological indices diphenylsulfone biological activity electronegativity actual atomic distance Cornwell,Edward Cordano,Gianni TWO NEW TOPOLOGICAL INDICES TO DIFFERENTIATEHIGH AND LOW INHIBITORY ACTIVITY OF DIPHENYL SULFONE DERIVATIVES
description	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
author	Cornwell,Edward Cordano,Gianni
author_facet	Cornwell,Edward Cordano,Gianni
author_sort	Cornwell,Edward
title	TWO NEW TOPOLOGICAL INDICES TO DIFFERENTIATEHIGH AND LOW INHIBITORY ACTIVITY OF DIPHENYL SULFONE DERIVATIVES
title_short	TWO NEW TOPOLOGICAL INDICES TO DIFFERENTIATEHIGH AND LOW INHIBITORY ACTIVITY OF DIPHENYL SULFONE DERIVATIVES
title_full	TWO NEW TOPOLOGICAL INDICES TO DIFFERENTIATEHIGH AND LOW INHIBITORY ACTIVITY OF DIPHENYL SULFONE DERIVATIVES
title_fullStr	TWO NEW TOPOLOGICAL INDICES TO DIFFERENTIATEHIGH AND LOW INHIBITORY ACTIVITY OF DIPHENYL SULFONE DERIVATIVES
title_full_unstemmed	TWO NEW TOPOLOGICAL INDICES TO DIFFERENTIATEHIGH AND LOW INHIBITORY ACTIVITY OF DIPHENYL SULFONE DERIVATIVES
title_sort	two new topological indices to differentiatehigh and low inhibitory activity of diphenyl sulfone derivatives
publisher	Sociedad Chilena de Química
publishDate	2003
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000200004
work_keys_str_mv	AT cornwelledward twonewtopologicalindicestodifferentiatehighandlowinhibitoryactivityofdiphenylsulfonederivatives AT cordanogianni twonewtopologicalindicestodifferentiatehighandlowinhibitoryactivityofdiphenylsulfonederivatives
_version_	1718445323909595136

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

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