User: Thomas Duigou

Name: Thomas Duigou

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

Last seen: Thursday 24 February 2022 15:09:33 (UTC)

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

Website: Not specified

Location: Paris, France

0 Friends

1 Group (admin)

0 Groups (member)

4 Files

5 Packs

8 Workflows

2 Favourites

Thomas Duigou has been credited 17 times

Thomas Duigou has an average rating of:

0.0 / 5

(0 ratings in total)

for their items

Description/summary not set

Other contact details:

Not specified

Interests:

Not specified

Field/Industry: Biotechnology

Occupation/Role(s): Research engineer

Organisation(s):

Not specified

Note: some items may not be visible to you, due to viewing permissions.

Pack

Creator

Thomas Duigou

View

Download

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.

4 items in this pack

Comments: 0 | Viewed: 57 times | Downloaded: 28 times

Tags:

Remove from favourites

Workflow

KNIME

Uploader

Thomas Duigou

RetroPath2.0 - a retrosynthesis workflow w... (15)

Download

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 effectively l...

Created: 2017-05-24 | Last updated: 2022-02-24

Credits: Thomas Duigou Baudoin Delépine BioRetroSynth

Remove from favourites

What is this?

Linked Data

Non-Information Resource URI:

Alternative Formats