PaDEL-Descriptor 29 is a graphical or command line interface that mostly utilizes the Chemistry Development Kit and a few additional descriptor categories. It was employed to calculate 1875 one-, two-, and three-dimensional descriptors. These descriptors-the data that the deep-learning model analyzes to train and make predictions-were calculated for three dimensional SDFs of the largest cluster of known inhibitors, random molecules (control) pulled from PubChem, and for FDA-approved drugs retrieved from DrugBank.