To map all the following data of the paper with precursor combination codes (A1-U34), follow the GitHub link (https://github.com/GreenawayLab/Streamlining-Automated-Discovery-POCs/) Data: ms.zip contains all the HRMS data nmr.zip contains all the 1H NMR (CDCl3) data turbidity.zip contains all the computer vision turbidity Labels: NMR data file paths are as follow: XX-0X-00X/PX/ Where XX-0X-00X is the experiment code and PX is the plate number HRMS data is labelled as: experimentcode_platenumber_formulationnumber Where the experiment code is given as XX-0X-00X Plate number is given as 0X Formulation number (position in plate) is given as 0X Computer vision turbidity data and are given as file paths: experimentcode/platenumber/solubility_study_formulationnumber/ XX-0X-00X/0X/solubilitystudy_X Precursor positions and mapping to the experiment code are given as precursor_positions.json