To make the impurity prediction pipeline easily accessible to chemists, we developed an input/output file system based on Microsoft Excel with ChemDraw version 21.0 add-ins (Figures ). The Microsoft Excel tabular format made it easy to specify the different inputs for the reaction, and also analyze the outputs in a similar manner. Given that Microsoft Excel and Python does not natively support chemical structures, we used simplified molecular input line entry system (SMILES) to depict the chemical structures as strings . Using the ChemDraw add-in, we then converted the Excel spreadsheet into a ChemDraw worksheet and showed the chemical structures along with the SMILES in the same cell or box in the spreadsheet . We have used the input and output files for impurity prediction in the case of synthesis of paracetamol from phenol to visualize how the files look like.