The predicVve success of this algorithm indicates that PL size-exclusivity is largely determined by the probability that the pore carrier cavity apertures and the solvent molecule shape are compaVble (i.e., they spend a large porVon of Vme in shapes/sizes that are similar and/or the solvent molecule is smaller than the cavity window). While intuiVve, the successful applicaVon of the KDE overlap quanVfies this.