An autonomous organic reaction search engine for chemical reactivity

While automated reaction systems typically work for the synthesis of pre-defined molecules, automated systems to discover reactivity are more challenging. Here the authors report an autonomous organic reaction search engine that allows discovery of the most reactive pathways in a multi-reagent, mult...

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Autores principales:	Vincenza Dragone, Victor Sans, Alon B. Henson, Jaroslaw M. Granda, Leroy Cronin
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/0f8183a3d5974989ba7f0b495afa40ef
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spelling	oai:doaj.org-article:0f8183a3d5974989ba7f0b495afa40ef2021-12-02T15:38:43ZAn autonomous organic reaction search engine for chemical reactivity10.1038/ncomms157332041-1723https://doaj.org/article/0f8183a3d5974989ba7f0b495afa40ef2017-06-01T00:00:00Zhttps://doi.org/10.1038/ncomms15733https://doaj.org/toc/2041-1723While automated reaction systems typically work for the synthesis of pre-defined molecules, automated systems to discover reactivity are more challenging. Here the authors report an autonomous organic reaction search engine that allows discovery of the most reactive pathways in a multi-reagent, multistep reaction system.Vincenza DragoneVictor SansAlon B. HensonJaroslaw M. GrandaLeroy CroninNature PortfolioarticleScienceQENNature Communications, Vol 8, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Vincenza Dragone Victor Sans Alon B. Henson Jaroslaw M. Granda Leroy Cronin An autonomous organic reaction search engine for chemical reactivity
description	While automated reaction systems typically work for the synthesis of pre-defined molecules, automated systems to discover reactivity are more challenging. Here the authors report an autonomous organic reaction search engine that allows discovery of the most reactive pathways in a multi-reagent, multistep reaction system.
format	article
author	Vincenza Dragone Victor Sans Alon B. Henson Jaroslaw M. Granda Leroy Cronin
author_facet	Vincenza Dragone Victor Sans Alon B. Henson Jaroslaw M. Granda Leroy Cronin
author_sort	Vincenza Dragone
title	An autonomous organic reaction search engine for chemical reactivity
title_short	An autonomous organic reaction search engine for chemical reactivity
title_full	An autonomous organic reaction search engine for chemical reactivity
title_fullStr	An autonomous organic reaction search engine for chemical reactivity
title_full_unstemmed	An autonomous organic reaction search engine for chemical reactivity
title_sort	autonomous organic reaction search engine for chemical reactivity
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/0f8183a3d5974989ba7f0b495afa40ef
work_keys_str_mv	AT vincenzadragone anautonomousorganicreactionsearchengineforchemicalreactivity AT victorsans anautonomousorganicreactionsearchengineforchemicalreactivity AT alonbhenson anautonomousorganicreactionsearchengineforchemicalreactivity AT jaroslawmgranda anautonomousorganicreactionsearchengineforchemicalreactivity AT leroycronin anautonomousorganicreactionsearchengineforchemicalreactivity AT vincenzadragone autonomousorganicreactionsearchengineforchemicalreactivity AT victorsans autonomousorganicreactionsearchengineforchemicalreactivity AT alonbhenson autonomousorganicreactionsearchengineforchemicalreactivity AT jaroslawmgranda autonomousorganicreactionsearchengineforchemicalreactivity AT leroycronin autonomousorganicreactionsearchengineforchemicalreactivity
_version_	1718386094137933824

An autonomous organic reaction search engine for chemical reactivity

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