Dataset for "Intelligent Mechanochemical Design of Amorphous Solid Dispersions"

The entire data supports the research publication and can be divided in 3 parts:

1. Training data (Raw PXRD and DSC data and its description of the labelling contained in the Documentation.zip);
2. 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);
3. Code (Python algorithm that uses the excel-files from the previous point to generate predictive capabilities).