DOI: 10.5281/zenodo.15150344
title: Supplemental Data for "A Cheminformatics Workflow for Higher-throughput Modeling of Chemical Exposures from Biosolids"

description: Supplementary Data associated with the manuscript "A Cheminformatics Workflow for Higher-throughput Modeling of Chemical Exposures from Biosolids". 

bioRxiv preprint (not peer reviewed): https://doi.org/10.1101/2025.04.03.647109 

BST_BulkUpload.mdb: Microsoft Access implementation of the Biosolids Screening Tool, in a version that has the capability for bulk-uploading chemicals.

BST_BulkChemicalImportTool.xlsm: Microsoft Excel workbook, providing the template used by autoBST to produce output suitable for bulk upload into the BST.

autobst.zip: A ZIP archive of the autoBST code and data files, also available on GitHub at https://github.com/USEPA/CompTox-ExpoCast-autoBST .

Supplementary Table 1: AutoBST workflow output (Excel workbook of BST parameters suitable for uploading using the Bulk Upload Tool) when biosolids concentrations are set to National Sewage Sludge Survey mean concentrations.

Supplementary Table 2: AutoBST workflow output (Excel workbook of BST parameters suitable for uploading using the Bulk Upload Tool when biosolids concentrations are set to National Sewage Sludge Survey 95th percentile concentrations.

Supplementary Table 3: AutoBST workflow output (Excel workbook of BST parameters suitable for uploading using the Bulk Upload Tool) when biosolids concentrations are set to 1 ppb for all chemicals.

Supplementary Table 4: BST simulation results when biosolids concentrations are set to National Sewage Sludge Survey mean concentrations (i.e., when Supplementary Table 1 is used as input). See BST User Guide for details.

Supplementary Table 5: BST simulation results when biosolids concentrations are set to National Sewage Sludge Survey 95th percentile concentrations (i.e., when Supplementary Table 2 is used as input). See BST User Guide for details.

Supplementary Table 6: BST simulation results when biosolids concentrations are set to 1 ppb for all chemicals (i.e., when Supplementary Table 3 is used as input). See BST User Guide for details.

Supplementary Table 7: Chemical rankings by BST-predicted oral average daily dose (ADD) for an adult farmer, under each of the three land-application use (LAU) scenarios (Crop, Pasture, and Reclamation), for each biosolids concentration scenario considered (NSSS mean, NSSS 95th percentile, and 1 ppb).

Disclaimer: This data set reflects the opinions of the authors and does not necessarily represent U.S. EPA policy. This research was supported in part by an appointment to the U.S. Environmental Protection Agency (EPA) Research Participation Program administered by the Oak Ridge Institute for Science and Education (ORISE) through an interagency agreement between the U.S. Department of Energy (DOE) and the U.S. Environmental Protection Agency. ORISE is managed by Oak Ridge Associated Universities (ORAU) under DOE contract number DE-SC0014664. All opinions expressed are those of the authors and do not necessarily reflect the policies and views of US EPA, DOE, or ORAU/ORISE. These data and the associated manuscript have been reviewed by the Center for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency, and approved for publication. Approval does not signify that the contents reflect the views of the Agency. Any mention of trade names, products, or services does not imply an endorsement by the U.S. government or the EPA. EPA does not endorse any commercial products, services, or enterprises.