MOFs with metallic centers that we classified as potentially safe. In such scenarios, however, external surface modification or functionalization emerges as a viable strategy for enhancing material stability. For instance, we have demonstrated that the post-synthetic modification of the MOF external surface with phosphatefunctionalized methoxy polyethylene glycol enhances the MOF colloidal stability and provides precise control over drug-release kinetics. This approach effectively overcomes a longstanding issue related to MOF aggregation, which has been a significant bottleneck for the translation of MOFs to the clinic. These strategies can be extended to MOFs containing these potentially safer metallic centers, thereby improving their suitability for drug delivery applications. A second consideration that we have touched upon briefly is the variation in toxicity with the route of administration. of the molecule), EState_VSA1 (a complex descriptor calculated from the electro-topological state and the atomic contributions to the van der Waals surface area), VSA_EState2 (a complex descriptor calculated from the van der Waals surface area and the atomic contributions to the electro-topological state) and SMR_VSA6 (a complex descriptor calculated from the molar refractivity and the atomic contributions to the van der Waals surface area)across the three classes of toxicity as predicted by the ML model for MOFs with potentially safe metal centers.