Research output per year
Research output 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_v2.nb.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_v2.nb.html)
| Date made available | 30 Jan 2020 |
|---|---|
| Publisher | University of Strathclyde |
| Date of data production | 1 May 2019 - 31 Aug 2019 |
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Data mining crystallization kinetics
Maldonado, D. A., Vassileiou, A., Johnston, B., Florence, A. J. & Brown, C. J., 1 Oct 2022, In: Digital Discovery. 1, 5, p. 621-635 15 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile5 Citations (Scopus)59 Downloads (Pure) -
Data mining crystallization kinetics
Brown, C., Maldonado, D. A., Vassileiou, A., Johnston, B. & Florence, A., 19 Aug 2020, (Unpublished).Research output: Contribution to conference › Presentation/Speech
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Data mining crystallization kinetics
Brown, C., Maldonado, D., Vassileiou, A., Johnston, B. & Florence, A., 11 Aug 2020, (E-pub ahead of print) 40 p.Research output: Working paper
File
Projects
- 1 Finished
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Future Continuous Manufacturing and Advanced Crystallisation Research Hub (CMAC Hub)
Florence, A. (Principal Investigator), Brown, C. (Co-investigator), Halbert, G. (Co-investigator), Johnston, B. (Co-investigator), Markl, D. (Co-investigator), Nordon, A. (Co-investigator), Price, C. J. (Co-investigator), Sefcik, J. (Co-investigator) & Ter Horst, J. (Co-investigator)
EPSRC (Engineering and Physical Sciences Research Council)
1/01/17 → 30/09/24
Project: Research
Activities
- 1 Oral presentation
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Data Mining Crystallisation Kinetics
Brown, C. (Speaker), Johnston, B. (Contributor), Alvarado Maldonado, D. A. (Contributor), Vassileiou, A. (Contributor) & Florence, A. (Contributor)
31 Mar 2021Activity: Talk or presentation types › Oral presentation