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

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Location: Paris, France

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Field/Industry: Biotechnology

Occupation/Role(s): Research engineer

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Thomas Duigou

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Aminoglycosides-Data

Created: 2017-06-30 17:09:48 | Last updated: 2017-07-03 08:19:12

Credits: Thomas Duigou BioRetroSynth

Attributions: RetroPath2.0-Mods-iQSAR

License: Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported License

Data to be used with the RetroPath2.0-Mods-iQSAR and QSAR-model-aminoglycosides workflows for the "search for molecules maximizing biological activities" use case:- Source and Rules input.- Pre-generated Results.- Training set for building the QSAR of the antibacterial activity.

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Thomas Duigou

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Monomers-Data

Created: 2017-06-30 17:01:24 | Last updated: 2017-10-12 13:47:22

Credits: Thomas Duigou BioRetroSynth

Attributions: RetroPath2.0-Mods-isomer-transformation

License: Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported License

Data to be used with the RetroPath2.0-Mods-isomer-augmentation and QSAR-model-Tg-prediction workflows for the monomer enumeration use case:- Source and Rules input.- Pre-generated Results.- Training set for building the QSAR of the glass transition temperature.

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Thomas Duigou

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Alkane-Enumeration-Data

Created: 2017-06-30 16:57:41 | Last updated: 2017-10-12 13:45:28

Credits: Thomas Duigou BioRetroSynth

Attributions: RetroPath2.0-Mods-isomer-transformation

License: Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported License

Data to be used with the RetroPath2.0-Mods-isomer-transformation workflow for the alkane enumeration use case:- Source and Rules input.- Pre-generated Results.

File type: application/x-zip-compressed

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