Fr User: Thomas Duigou

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Name: Thomas Duigou

Joined: Wednesday 07 June 2017 11:36:28 (UTC)

Last seen: Wednesday 14 November 2018 12:48:50 (UTC)

Email (public): thomas.duigou [at] inra.fr

Website: Not specified

Location: Paris, France

Thomas Duigou has been credited 16 times

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Field/Industry: Biotechnology

Occupation/Role(s): Research engineer

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Pack KNIME workflows and associated data from Koch et. al...


Created: 2017-06-29 17:26:00 | Last updated: 2017-12-19 10:19:21

The pack provides the KNIME workflows and associated data from:Koch M, Duigou T, Carbonell P, Faulon JL. Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0. Journal of Cheminformatics, 9:64, 2017. https://doi.org/10.1186/s13321-017-0252-9Please browse the linked packs below.

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Workflow

Workflow RetroPath2.0 - a retrosynthesis workflow w... (8)

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The RetroPath2.0 workflow build a reaction network from a set of source compounds to a set of sink compounds.When applied in a retrosynthetic fashion, the source is composed of the target compounds and the sink is composed of the available reactants (for instance in the context of metabolic engineering the sink is the set of native metabolites of a chassis strain). From amongst all the chemical reactions generated using RetroPath2.0 (in the retrosynthetic way), only a subset may eff...

Created: 2017-05-24 | Last updated: 2018-10-11

Credits: User Baudoin Delépine Network-member BioRetroSynth

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