The ML model for predicting the toxicity of the organic linker molecule partly addresses the biocompatibility of MOFs. The second aspectas important as the first oneis the toxicity of the metallic center. The chemical landscape of MOF metal centers is limited, making it easier to map and interpret. However, some crucial considerations should be accounted for prior to making design choices. Here, we would like readers to refer to Figure , where we present a dataset of metal center toxicity, with the corresponding chloride salt as the ionic control. This dataset was constructed for all metal centers having formed MOF structures as reported in a recent review by Zhou et al with a description of the data curation in Supporting Information, Section S1. For better interpretability, we provide the raw data in Supporting Information, Section S8, along with the data sources.