To ensure the relevance of our QSAR model's predictions, we introduced an applicability domain framework . This was performed by calculating the Tanimoto similarity between the enumerated compounds and those in the training set. We set a similarity threshold of 0.7, allowing us to focus on compounds that were structurally related to the biologically active compounds in our training data. This step ensured that the model predictions remained within the chemical space for which the model was applicable and reliable.