were generated using the JRgui graphical user interface (GUI) powered by the Tkinter package. This tool computes descriptors integrated into RDKit and generates grid representations of 3D molecular structures . Leveraging the JRgui and RDKit toolkit , we extracted a comprehensive set of approximately 200 descriptors. However, a�er a thorough examina�on, only 6 descriptors for NHOC and 40 for density (ρ) were me�culously selected from this set to train the models. In other words, the hydrocarbons' proper�es can be expressed as a func�on of these descriptors,