The CG models developed based on the AEX method can effectively reproduce the radial distribution functions (RDFs) of AA solvent models. Several representative cases are shown in Figure . Figures and illustrate the RDFs of the CG particles in the aromatic BEN and the cyclic CHE molecules, respectively. Figures and separately display the RDF curves for terminal sites and internal sites within OCT molecules. Both CG results closely match those of the ones of AA results.