Publication in Nature Scientific Data
Our paper that describes the curation of aqueous solubility database is published on Nature Scientific Data. AqSolDB is the largest open-access aqueous solubility database consists of 9,982 unique compounds curated from 9 publicly available datasets. With an openly accessible, machine-readable, and well-structured format, AqSolDB will serve a broad community as a reference aqueous solubility dataset for the bench-marking of new experimental, physics-based, and machine learning modeling. Browse AqSolDB!