What quality control measures are applied to the standard chemical field content of DSSTox SDF files?
Accurate representation of the structural and chemical information content of DSSTox data files is a primary objective of this project. The Log File listed on the main SDF Download Page for each DSSTox data file (see Templates & Sample Files) summarizes the procedures that were undertaken to ensure accuracy and internal consistency of chemical structure fields within each data file. Also listed in the Log File and used for QA review are summary counts within categories of chemicals. Numerous outside sources are used to retrieve chemical structures for inclusion in DSSTox data files and these are cross checked for internal consistency with other DSSTox Standard Chemical Fields, such as TestSubstance_SMILES, TestSubstance_CASRN. The ChemicalNote field is used to document any inconsistencies or uncertainties in the final displayed structure, and missing data (e.g., CAS) are listed in the Log File. We offer files of Technical Procedures, and have provided a mechanism for users to File Erro
