Similarly, the PubChem dataset was used to generate the training dataset for the final model. Using the selected SMILES strings, hand-drawn-like synthetic chemical structure depictions were generated using RanDepict (see Figure ). Again, the image size was set to 512 x 512 and the generated data and the tokenised SMILES were saved into TFRecord files and moved to a Google Cloud bucket for training. Here, every molecule was depicted three times without augmentations and once with augmentations.