Pathway design using de novo steps through uncharted biochemical spaces

Existing pathway design tools make use of existing reactions from databases or successively apply retrosynthetic rules. novoStoic provides an integrated optimization-based framework combining known reactions with novel steps in pathway design allowing for constraints on thermodynamic feasibility, pr...

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Autores principales:	Akhil Kumar, Lin Wang, Chiam Yu Ng, Costas D. Maranas
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/272f14c7481c4078bb306cbfb36c22dd
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id	oai:doaj.org-article:272f14c7481c4078bb306cbfb36c22dd
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spelling	oai:doaj.org-article:272f14c7481c4078bb306cbfb36c22dd2021-12-02T14:40:08ZPathway design using de novo steps through uncharted biochemical spaces10.1038/s41467-017-02362-x2041-1723https://doaj.org/article/272f14c7481c4078bb306cbfb36c22dd2018-01-01T00:00:00Zhttps://doi.org/10.1038/s41467-017-02362-xhttps://doaj.org/toc/2041-1723Existing pathway design tools make use of existing reactions from databases or successively apply retrosynthetic rules. novoStoic provides an integrated optimization-based framework combining known reactions with novel steps in pathway design allowing for constraints on thermodynamic feasibility, product yield, pathway length and number of novel steps.Akhil KumarLin WangChiam Yu NgCostas D. MaranasNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-15 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Akhil Kumar Lin Wang Chiam Yu Ng Costas D. Maranas Pathway design using de novo steps through uncharted biochemical spaces
description	Existing pathway design tools make use of existing reactions from databases or successively apply retrosynthetic rules. novoStoic provides an integrated optimization-based framework combining known reactions with novel steps in pathway design allowing for constraints on thermodynamic feasibility, product yield, pathway length and number of novel steps.
format	article
author	Akhil Kumar Lin Wang Chiam Yu Ng Costas D. Maranas
author_facet	Akhil Kumar Lin Wang Chiam Yu Ng Costas D. Maranas
author_sort	Akhil Kumar
title	Pathway design using de novo steps through uncharted biochemical spaces
title_short	Pathway design using de novo steps through uncharted biochemical spaces
title_full	Pathway design using de novo steps through uncharted biochemical spaces
title_fullStr	Pathway design using de novo steps through uncharted biochemical spaces
title_full_unstemmed	Pathway design using de novo steps through uncharted biochemical spaces
title_sort	pathway design using de novo steps through uncharted biochemical spaces
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/272f14c7481c4078bb306cbfb36c22dd
work_keys_str_mv	AT akhilkumar pathwaydesignusingdenovostepsthroughunchartedbiochemicalspaces AT linwang pathwaydesignusingdenovostepsthroughunchartedbiochemicalspaces AT chiamyung pathwaydesignusingdenovostepsthroughunchartedbiochemicalspaces AT costasdmaranas pathwaydesignusingdenovostepsthroughunchartedbiochemicalspaces
_version_	1718390405006884864

Pathway design using de novo steps through uncharted biochemical spaces

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