Supporting information for: "Digitized dataset of aqueous dissociation constants"

Supporting information for the manuscript Digitized dataset of aqueous dissociation constants. This repository includes the models and data splits used in the manuscript, as well as data files that illustrate data overlaps between commonly-used training sets and test sets. Note: this is NOT the official repository for the full dataset; this is only for the trained model and information supporting the associated manuscript. The latest version of the full IUPAC dataset can be found at: https://doi.org/10.5281/zenodo.7236452