Interestingly, three of these MOFs (DOTWAL, QOTZEG, and FELWEA) contain a lanthanideseries metal center (Supporting Information Table ). This prediction could be due to the fact that lanthanides are present in a higher proportion in the K-C2 dataset relative to CoRE, leading our models to confidently predict a benefit of lanthanides in enhancing selectivity. It may also indicate that lanthanide MOFs are worth further investigation, since they still constitute of small portion of K-C2 overall. Of the three MOFs we highlighted, DOTWAL has the highest ideal predicted selectivity of 9.3 and contains two La-containing nodes. One node is coordinatively saturated with nine connections to oxygen in the diglycolic acid linker, while the other is coordinated to six linker oxygens with the rest of coordination sites occupied by water molecules.