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For the purpose of this modeling study, extensive curation work was conducted on 13 publicly available PHYSPROP physicochemical property and environmental fate datasets.The dataset supporting the...
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The data used in this analysis was obtained from published literature and available through the high-throughput toxicokinetic (HTTK) R package. The dataset consists of 1486 chemicals that span a...
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In an effort to address a major challenge in chemical safety assessment, alternative approaches for characterizing systemic effect levels, a predictive model was developed. Systemic effect levels...
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A dataset for the manuscript which demonstrates that it is possible to achieve levels of performance equivalent to the full 16 assay ER agonist model against both in vitro and in vivo reference...
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The files and .R scripts here are provided to aid in understanding and reproduction of the analyses in the submitted paper, "Examining the Utility of In Vitro Bioactivity as a Protective Point of...
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Data and supplemental files from COMPARA (A large-scale modeling project). COMPARA combined multiple models developed in collaboration with modelers and computational toxicology scientists from 25...
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Data on 1855 chemicals were generated during ToxCast Phases I and II and Tox21 screening using 11 AR-related in vitro assays to build a computational network model for AR pathway activity. This...
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Read-across is an important data gap filling technique used within category and analog approaches for regulatory hazard identification and risk assessment. Although much technical guidance is...
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EPA researchers have been using advances in computational toxicology to address lack of data on the thousands of chemicals. EPA released chemical data on 1,800 chemicals. The 1,800 chemicals were...
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An investigation was performed on each of the individual CASMI datasets to identify whether the chemicals were present in DSSTox, the database underlying the Dashboard (see Methods for details)....
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We present a novel use of normalized pointwise mutual information (NPMI) to mine biomedical literature for gene associations with biological concepts as represented by Medical Subject Headings...
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A diverse data set of 1667 chemicals with AR experimental activity were provided by the U.S. EPA from the oxicity Forecaster (ToxCast) program which generates data using in vitro high-throughput...
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In this work, we introduce a new method for uncertainty quantification in ToxCast data. We explore how unavoidable uncertainties in the data result in uncertainties in concentration-response...
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The objectives of this work were to: 1) develop an integrated analysis of chemical-mediated effects on steroidogenesis in the HT-H295R assay; and, 2) evaluate whether the HT-H295R assay predicts...
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ToxRefDB comprises information from over fifty years of in vivo toxicity data. The database includes information for over 1000 chemicals, and is being used as a primary source of data for...
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The dataset(s) supporting the conclusions of this article are available via the CompTox Chemistry Dashboard Downloads Page (https://comptox.epa.gov/dashboard/downloads) and MS-Ready GitHub...
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Here we describe the development of an automated KNIME workflow to curate and correct errors in the structure and identity of chemicals using the publically available PHYSPROP physico-chemical...
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Data from a study to critically examine some of the issues of using data from ToxRefDB, a database largely composed of guideline studies for pesticidal active ingredients, using a case study...
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Data are summarized in a two-dimensional data matrix that was developed for each substance for hazard characterization (Tables S1–S3). In the horizontal direction of the matrix, read-across of the...
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