The atomic charges, q, of molecular receptors can also provide insights into sensing performance by examining how the adsorption of BOV molecules (i.e., CPLX system) affects the charge distribution in the molecular receptors. As shown in Fig. . The small magnitude of the charge changes on graphene (-0.005 to 0.005 e) confirms that the weak adsorption of the BOV molecules, while the atomic charge analysis on molecular receptors demonstrates their crucial role in the sensing workforce (vide supra). In both panels, the data points are colored according to the receptor number, indicating a lack of clustering based on the receptor. Thus, the "freedom of design" principle can also be applied to the MORE-Q dataset to gain a better understanding of structure-property and property-property relationships in these potential olfactory sensors.