To access PLs with a reasonable pore volume capable of demonstraVng an enhancement in gas uptake over the neat solvent, the pore carrier needs to be dissolved at relaVvely high concentraVons (type II) or low concentraVons to access high concentraVon dispersions (type III). For the former, solubility is typically determined using manual measurements in each solvent. ComputaVonally assessing solubility is more challenging, owing to the complexity of compeVng inter-and intramolecular interacVons. Previously, COSMO-RS, a conVnuum solvaVon model based on quantum chemical calculaVons, was used to esVmate the solubility of one POC candidate with a series of solvents to design POC-based type II PLs. Yet, this method achieved only 58% accuracy, likely due to limitaVons associated with represenVng interacVons between secondary and terVary amines. Data-driven solubility predicVon approaches have shown promise with respect to increased accuracy and robustness of the models. Yet, these models are trained on datasets of small organic molecules, which are not representaVve of the PL chemical space. While the candidate solvent molecules could be considered to fall within the small molecule datasets, the porous hosts would not -even the molecular hosts comprising type II PLs are too large for tools developed for small molecules. We therefore looked to develop an alternaVve, more accurate solubility assessment protocol for PLs.