The final dataset includes cyclic molecules composed of rings containing 3, 4, 5, 6, or 7 carbon atoms, which may be fused with nitrogen (N), sulfur (S), or oxygen (O) atoms. To ensure accuracy, the database underwent a comprehensive check for duplicates using both SMILES representations and compound names. This process confirmed the absence of duplicates or missing values. Our data cleansing procedure yielded a total of 4635 samples.