With respect to the integraVon of the size-exclusivity predicVon algorithm in this work, we observe a significant decrease in the resources necessary to access this material property computaVonally. Indeed, computaVonal size-exclusivity predicVons would otherwise require full liquid simulaVons. There are two main contribuVons associated with this algorithm: (i) the procedure used to obtain a quanVtaVve representaVon of molecular shape, and (ii) a quanVtaVve metric for size-exclusivity via the KDE overlap. The candidate solvent size analysis workflow indicates the importance of solvent rigidity in size-exclusivity predicVon. While intuiVve, the dynamic nature of PLs necessitates new ways of quanVfying molecular shape that account for the numerous degrees of freedom within candidate solvent molecules. ConvenVonal size metrics are too rigid, in that they typically disVll molecular shape into a series of vectors that are likely too large considering the dynamic interacVons in the liquid state. By integraVng a measure of rigidity into our workflow, we avoid this and gain a becer representaVon of candidate solvents that assesses the size they would be as they interact with the cavity of the pore carrier in PLs. Indeed, the solvent size analysis workflow and molecular shape metric has implicaVons beyond PLs in systems where molecular shape is a governing feature in property predicVon.