File Entry: Monomers-Data

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

Version 1 (earliest) (of 2)

Version created on: 2017-06-30 17:01:24

Last edited on: 2017-06-30 17:10:45

Title	Monomers-Data
File name	Monomers-Data.zip
File size	4353982
SHA1	afea6641af0a7e25c379d3c0f2b01a3db8b76616
Content type	application/x-zip-compressed

Description

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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RetroPath2.0-Mods-isomer-transformation

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BioRetroSynth

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Pack #2 - Isomer enumeration (isomer transformation algorithm)

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3719 viewings

756 downloads

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Version History

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Monomers-Data

Created on Friday 30 June 2017 17:01:24 (UTC)

Last edited on Friday 30 June 2017 17:10:45 (UTC)
Monomers-Data

Created on Thursday 12 October 2017 13:47:22 (UTC)

Last edited on Thursday 12 October 2017 13:47:34 (UTC)

Revision comment:

Updating name of rules.

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Non-Information Resource URI: http://myexperiment.org/files/1926

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