Research output per year
Research output per year
Description
The entire data supports the research publication and can be divided in 3 parts:
i) Training data (Raw PXRD data and its description of the labelling contained in the Documentation.zip),
ii) Excel-files that are the input of the algorithm (Results.xlsx contains reaction outcomes/ Chem.xlsx contains all chemical descriptors for used molecules; both are in the Documentation.zip)
iii) Code (Python algorithm that uses the excel-files from the previous point to generate predictive capabilities)
i) Training data (Raw PXRD data and its description of the labelling contained in the Documentation.zip),
ii) Excel-files that are the input of the algorithm (Results.xlsx contains reaction outcomes/ Chem.xlsx contains all chemical descriptors for used molecules; both are in the Documentation.zip)
iii) Code (Python algorithm that uses the excel-files from the previous point to generate predictive capabilities)
| Date made available | 27 Jun 2021 |
|---|---|
| Publisher | University of Bath |
Research output
- 1 Article
-
Mechanochemical co-crystallization: Insights and predictions
Gröls, J. & Castro Dominguez, B., Oct 2021, In: Computers and Chemical Engineering. 153, 107416.Research output: Contribution to journal › Article › peer-review
Open AccessFile19 Link opens in a new tab Citations (SciVal)281 Downloads (Pure)
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