The DECIMER Image Transformer model was trained with more than 450 million depictions of chemical structures with an image resolution of 512 x 512 pixels (see dataset pubchem_3 in Supplementary Table ). The images were generated using the full range of depiction options in the cheminformatics toolkits Chemistry Development Kit (CDK) , RDKit 29 , Indigo and the Python-based Informatics Kit for Chemical Units (PIKAChU) . A detailed description of the dataset creation can be found in the Methods section below.