Dataset supporting the paper: Mechanochemical Co-crystallization: Insights and Predictions
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下载链接：
https://researchdata.bath.ac.uk/id/eprint/963
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资源简介：
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)
提供机构：
University of Bath
创建时间：
2021-06-28
