Projects per year
Description
This is the dataset associated with the article titled "Data mining crystallisation kinetics".
Files within this dataset:
Molecular descriptors employed in random forests of the compounds in the database (moe_descriptors.csv)
All the data collected without pre-processing, observations whose kinetic parameters were a function of solvent or antisolvent concentration, observations whose growth was measured as volume, data adjusted according to what was explained in the article (dataset_raw.csv)
All the data collected with preprocessing, observations whose kinetic parameters were a function of solvent or antisolvent concentration, observations whose growth was measured as volume, data adjusted according to what was explained in the article (dataset_preprocessed.csv)
Code employed to perform cluster analysis and random forests in R (script.html)
Files within this dataset:
Molecular descriptors employed in random forests of the compounds in the database (moe_descriptors.csv)
All the data collected without pre-processing, observations whose kinetic parameters were a function of solvent or antisolvent concentration, observations whose growth was measured as volume, data adjusted according to what was explained in the article (dataset_raw.csv)
All the data collected with preprocessing, observations whose kinetic parameters were a function of solvent or antisolvent concentration, observations whose growth was measured as volume, data adjusted according to what was explained in the article (dataset_preprocessed.csv)
Code employed to perform cluster analysis and random forests in R (script.html)
Date made available | 30 Jan 2020 |
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Publisher | University of Strathclyde |
Date of data production | 1 May 2019 - 31 Aug 2019 |
Projects
- 1 Active