Quantitative Structure Use Relationship (QSUR) v1 predictions for DSSTox

Overview EPA's Quantitative Structure-Use Relationship (QSUR) models predict a chemicals potential functional uses (technical roles) from its structure. These models were published in Phillips et al (2017). The models from this publication are currently available on GitHub (https://github.com/HumanExposure/qsur). This version provides predictions for a November 2024 snapshot of EPA's Distributed Structure-Searchable Toxicity (DSSTox) database. Data Dictionary This data file only contains predictions that are within the domain of applicability for the QSUR model. More information on how the domain is determined is in Phillips et al. 2017. Fields dtxsid [string]: DSSTox Substance Identifier for a chemical in DSSTox harmonized_functional_use [string]: specific groupings of functional uses that were reported by sources; more information on these uses is in Phillips et. al. 2017 probablility [float]: a value between 0 and 1; the predicted likelihood of a chemical being able to provide a functional use Data Versioning CalVer Scheme: YYYY.0M.0D