Third, the Avalon fingerprint, similar to the Morgan fingerprint, focuses on atomic bonds, paths of distance, hydrogen counts, and ring paths. These fingerprint features were integrated to enhance the predictive performance of our ML model. The DNN method was evaluated using both individual and combined fingerprints, with performance assessed based on prediction accuracy and computational time. The model achieved its best performance when combining all three fingerprint types, making this the preferred technique for subsequent analyses. Next, we calculated molecular descriptors that reflect both 1D, 2D, and 3D chemical properties.