{"id":4676,"date":"2019-05-05T11:35:04","date_gmt":"2019-05-05T09:35:04","guid":{"rendered":"https:\/\/www.tarosdiscovery.com\/unkategorisiert\/the-next-level-in-chemical-space-navigation-going-far-beyond-enumerable-compound-libraries\/"},"modified":"2024-01-26T10:45:10","modified_gmt":"2024-01-26T09:45:10","slug":"the-next-level-in-chemical-space-navigation-going-far-beyond-enumerable-compound-libraries","status":"publish","type":"post","link":"https:\/\/www.tarosdiscovery.com\/de\/news\/the-next-level-in-chemical-space-navigation-going-far-beyond-enumerable-compound-libraries-2\/","title":{"rendered":"The next level in chemical space navigation: going far beyond enumerable compound libraries"},"content":{"rendered":"\t\t
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The next level in chemical space navigation: going far beyond enumerable compound libraries<\/h1>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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Torsten Hoffmann, Marcus Gastreich<\/h3>\n

Drug Discov. Today, Mar. 2019, \u00a0\u00a0DOI:10.1016\/j.drudis.2019.02.013;<\/p>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

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Abstract:<\/strong><\/p>\n

Recent innovations have brought pharmacophore-driven methods for navigating virtual chemical spaces, the size of which can reach into the billions of molecules, to the fingertips of every chemist. There has been a paradigm shift in the underlying computational chemistry that drives chemical space search applications, incorporating intelligent reaction knowledge into their core so that they can readily deliver commercially available molecules as nearest neighbor hits from within giant virtual spaces. These vast resources enable medicinal chemists to execute rapid scaffold-hopping experiments, rapid hit expansion, and structure\u2013activity relationship (SAR) exploitation in largely intellectual property (IP)-free territory and at unparalleled low cost.<\/p>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t

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Interessiert Sie diese Publikation? Kontaktieren Sie unsere Wissenschaftler<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Medizinalchemie<\/p>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

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Wirkstoffforschung<\/h3>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Das internationale Team von Taros verf\u00fcgt kombiniert \u00fcber mehr als 180 Jahre Erfahrung in der pharmazeutischen F&E. Als Team haben wir an mehr als 120 biomolekularen\u2026<\/p>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

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Performance Chemicals<\/div>\n<\/div>\n<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Materialwissenschaft<\/h3>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Wir entwickeln mit Ihnen Performance Chemicals zur Verbesserung Ihrer Materialien, Kunststoffe, Beschichtungen, Farbstoffe und Druckfarben\u2026<\/p>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

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Interessiert?<\/h3>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Als ein europaweit f\u00fchrendes und unabh\u00e4ngiges Auftragsforschungsunternehmen (CRO) bieten wir Ihnen das gesamte Spektrum der (metall)organischen Synthesechemie.<\/h3>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Wir praktizieren einen pragmatischen sowie kundenorientierten Ansatz, um die Erwartungen an uns trotz h\u00f6chster Herausforderungen zu \u00fcbertreffen. Unsere erfahrenen Chemiker sind geschult, wirtschaftliche, \u00f6kologische sowie sicherheitstechnische Bedingungen f\u00fcr alle Phasen des Projekts zu evaluieren.<\/p>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

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Torsten Hoffmann, Marcus Gastreich
\nDrug Discov. Today, Mar. 2019, DOI:10.1016\/j.drudis.2019.02.013;<\/p>\n","protected":false},"author":6,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","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":"default","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-opacity":"","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-opacity":"","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-opacity":"","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-opacity":"","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-opacity":"","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-opacity":"","overlay-gradient":""}},"footnotes":""},"categories":[23],"tags":[],"class_list":["post-4676","post","type-post","status-publish","format-standard","hentry","category-publikationen"],"_links":{"self":[{"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/posts\/4676","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/users\/6"}],"replies":[{"embeddable":true,"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/comments?post=4676"}],"version-history":[{"count":0,"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/posts\/4676\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/media?parent=4676"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/categories?post=4676"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.tarosdiscovery.com\/de\/wp-json\/wp\/v2\/tags?post=4676"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}