Inferring experimental procedures from text-based representations of chemical reactions

In organic chemistry, synthetic routes for new molecules are often specified in terms of reacting molecules only. The current work reports an artificial intelligence model to predict the full sequence of experimental operations for an arbitrary chemical equation.

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Autores principales:	Alain C. Vaucher, Philippe Schwaller, Joppe Geluykens, Vishnu H. Nair, Anna Iuliano, Teodoro Laino
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/dcccf88e9c3d4e90a2cd8b02fcfe56f3
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id	oai:doaj.org-article:dcccf88e9c3d4e90a2cd8b02fcfe56f3
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spelling	oai:doaj.org-article:dcccf88e9c3d4e90a2cd8b02fcfe56f32021-12-02T16:51:30ZInferring experimental procedures from text-based representations of chemical reactions10.1038/s41467-021-22951-12041-1723https://doaj.org/article/dcccf88e9c3d4e90a2cd8b02fcfe56f32021-05-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-22951-1https://doaj.org/toc/2041-1723In organic chemistry, synthetic routes for new molecules are often specified in terms of reacting molecules only. The current work reports an artificial intelligence model to predict the full sequence of experimental operations for an arbitrary chemical equation.Alain C. VaucherPhilippe SchwallerJoppe GeluykensVishnu H. NairAnna IulianoTeodoro LainoNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Alain C. Vaucher Philippe Schwaller Joppe Geluykens Vishnu H. Nair Anna Iuliano Teodoro Laino Inferring experimental procedures from text-based representations of chemical reactions
description	In organic chemistry, synthetic routes for new molecules are often specified in terms of reacting molecules only. The current work reports an artificial intelligence model to predict the full sequence of experimental operations for an arbitrary chemical equation.
format	article
author	Alain C. Vaucher Philippe Schwaller Joppe Geluykens Vishnu H. Nair Anna Iuliano Teodoro Laino
author_facet	Alain C. Vaucher Philippe Schwaller Joppe Geluykens Vishnu H. Nair Anna Iuliano Teodoro Laino
author_sort	Alain C. Vaucher
title	Inferring experimental procedures from text-based representations of chemical reactions
title_short	Inferring experimental procedures from text-based representations of chemical reactions
title_full	Inferring experimental procedures from text-based representations of chemical reactions
title_fullStr	Inferring experimental procedures from text-based representations of chemical reactions
title_full_unstemmed	Inferring experimental procedures from text-based representations of chemical reactions
title_sort	inferring experimental procedures from text-based representations of chemical reactions
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/dcccf88e9c3d4e90a2cd8b02fcfe56f3
work_keys_str_mv	AT alaincvaucher inferringexperimentalproceduresfromtextbasedrepresentationsofchemicalreactions AT philippeschwaller inferringexperimentalproceduresfromtextbasedrepresentationsofchemicalreactions AT joppegeluykens inferringexperimentalproceduresfromtextbasedrepresentationsofchemicalreactions AT vishnuhnair inferringexperimentalproceduresfromtextbasedrepresentationsofchemicalreactions AT annaiuliano inferringexperimentalproceduresfromtextbasedrepresentationsofchemicalreactions AT teodorolaino inferringexperimentalproceduresfromtextbasedrepresentationsofchemicalreactions
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Inferring experimental procedures from text-based representations of chemical reactions

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