A CHEM-BERT model was fine-tuned to reproduce the docking scores obtained for the molecules in the COX-2 ChEMBL database. The data was divided into 281 molecules for the test set, 282 for the validation set, and 2,248 for the training set. CHEM-BERT was fine-tuned for 15 epochs, and the final model obtained an 𝑅 2 = 0.75 correlation in the test set.