{"id":68788,"date":"2018-03-09T23:13:12","date_gmt":"2018-03-09T23:13:12","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/molecular-quantum-similarity-in-qsar-applications-in-computer-aided-molecular-design\/"},"modified":"2018-03-09T23:13:12","modified_gmt":"2018-03-09T23:13:12","slug":"molecular-quantum-similarity-in-qsar-applications-in-computer-aided-molecular-design","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/girona\/molecular-quantum-similarity-in-qsar-applications-in-computer-aided-molecular-design\/","title":{"rendered":"Molecular quantum similarity in qsar. applications in computer aided molecular design"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Anna Gallegos Saliner <\/strong><\/h2>\n<p>La presente tesis est\u00e1 centrada en el uso de la teor\u00eda de la semejanza cu\u00e1ntica para calcular descriptores moleculares. Dichos descriptores se usan como par\u00e1metros  estructurales para derivar correlaciones entre la estructura y la funci\u00f3n o actividad experimental para un grupo de compuestos. los estudios de relaciones cuantitativas estructura-actividad son de gran importancia para el dise\u00f1o de mol\u00e9culas asistido por ordenador y, en particular, para el dise\u00f1o de f\u00e1rmacos.  la memoria consta de cuartro paretes diferenciadas. En los dos primeros bloques, los fundamentos de la teor\u00eda de semejanza cu\u00e1ntica, as\u00ed como la aproximaci\u00f3n  topol\u00f3gica, son revisados. Ambas teorias se usan para calcular los descriptores moleculares. En el segundo bloque, debe remarcarse la programaci\u00f3n e implementaci\u00f3n de programario para calcular los llamados indices topol\u00f3gicos de semejaza cu\u00e1ntica. La tercera secci\u00f3n revisa los fundamentos de las relaciones cuantitativas estructura-actividad y, finalmente, el \u00faltimo apartado recoge los resultados de aplicaci\u00f3n obtenidos para distintos sistemas biol\u00f3gicos.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Molecular quantum similarity in qsar. applications in computer aided molecular design<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Molecular quantum similarity in qsar. applications in computer aided molecular design <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Anna Gallegos Saliner <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Girona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 29\/06\/2004<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li> Carbo Dorca Carre Ramon<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Juan  jose Novoa vide <\/li>\n<li>patrick Bultinck (vocal)<\/li>\n<li>miquel Sol? puig (vocal)<\/li>\n<li>mark Cronin (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Anna Gallegos Saliner La presente tesis est\u00e1 centrada en el uso de la teor\u00eda de la semejanza [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[18809],"tags":[150922,150923,1123,132343,47166,150924],"class_list":["post-68788","post","type-post","status-publish","format-standard","hentry","category-girona","tag-anna-gallegos-saliner","tag-carbo-dorca-carre-ramon","tag-juan-jose-novoa-vide","tag-mark-cronin","tag-miquel-sol-puig","tag-patrick-bultinck"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/68788","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=68788"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/68788\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=68788"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=68788"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=68788"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}