First, we evaluated the performance of models trained on fingerprints detailed in Section 2.4. We noticed that the RF model trained on Mol2vec fingerprints and SMILES2Vec fingerprints yield 0.92 (ACC). MACCS fingerprints yield 0.82 (ACC), and Morgan fingerprints are slightly better than MACCS 0.83 (ACC). It has to be noted that the fine-tuned model of Mol2vec also yielded 0.92 (ACC). This can be attributed to the finetuning being limited to a small number of representative compounds from the DrugBank. The best performing fingerprint i.e., is used further in all the subsequent experiments.