Empirical scoring functions aim to calculate binding free energy by leveraging chemical interactions, such as hydrogen bonds ( ). In essence, binding energy determination depends on the molecular interactions. Molecular interaction variables include Van der Waals, dipole-dipole interactions, London dispersion forces, and hydrogen bonds. Some examples of docking programs that utilise empirical scoring functions include DOCK 4.0 ( ) and AutoDock ( ). Molecular docking programs using empirical scoring function examples have already demonstrated their efficacy in the field ( ).