To evaluate the accuracy of LJ interaction parameters obtained through the excluded volume correction algorithm, we selected several types of small molecules and constructed CG models. Our chosen molecules encompassed both straight-chain and branched alkanes, cycloalkanes, alcohol molecules, and amine compounds, as shown in Table . For the CG representation of these molecules, we adopted a united atom approach, where each carbon atom along with its attached hydrogens in the molecule was represented by a CG particle with its center of mass positioned at the carbon atom's center. An illustration for the CG divisions of the molecules is listed in Scheme 1. Moreover, small molecules with weak polarity are also listed in Scheme 2,