CML files Version 4
Contains CML dictionaries created to store deep eutectic solvent data with CML.
Contains CML created for experimental, simulation and predicted data. Predictions were made based on experimental data using a gradient boosting decision tree.
SEEK ID: https://fairdomhub.org/data_files/3042?version=4
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CML_files.zip
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Created: 23rd Aug 2019 at 11:33
Last updated: 15th Jun 2020 at 17:16
Last used: 13th Sep 2021 at 14:25
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Version 4 (latest) Created 15th Jun 2020 at 17:16 by Xinmeng Xu
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https://orcid.org/0000-0001-9119-1778Well rounded biologist/biotechnologist/biochemist/enzymologist/bioinformatician/computational biologist.
Storage of thermophysical properties (e.g. density, viscosity, thermodynamic activity of water, conductivity) using Chemical Markup Language (CML).
Programme: This Project is not associated with a Programme
Public web page: Not specified
This is a collection of deep eutectic solvent (DES) experimental and simulation data that is stored in CML format and analysed using gradient boosting decision trees.
This is a collection of data involving choline chloride:glycerol:water mixtures stored in CML.
This is a collection of data that have been used to analyse data on deep eutectic solvent mixtures of choline chloride:glycerol:water.
Submitter: Gudrun Gygli
Biological problem addressed: Model Analysis Type
Investigation: Deep Eutectic Solvents
Abstract
Authors: Xinmeng Xu, Jan Range, Gudrun Gygli, Jürgen Pleiss
Date Published: 12th Mar 2020
Publication Type: Journal
