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U.S. Environmental Protection Agency
Dataset Description
The US EPA Toxicity Forecasting (ToxCast) project has involved the generation of large amount of high throughput in vitro data (Over 4000 chemicals tested in between 100 and 700 assays). This data is generated in a consistent manner, and includes a wide variety of chemicals including industrial and consumer products, food additives, pesticides, and drugs. These chemicals were not chosen because they were expected to be active, resulting in a database containing a balance of positive and negative data points. As such this data is useful for computational model construction. This in vitro data has been used at the EPA and elsewhere in modelling approaches, including computational modelling for specific target binding as biological descriptors for toxicity prediction, and pharmacokinetic modelling of human dose responses. All analyses in the generation of the burst flag hit-call matrix and extraction of chemicals for the targets in this study (AR and GR) were performed using R v3.1.2.
This dataset is associated with the following publication:
Allen, T.E., M.D. Nelms, S.W. Edwards, J.M. Goodman, S. Gutsell, and P.J. Russell. In Silico Guidance for In Vitro Androgen and Glucocorticoid Receptor ToxCast Assays. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 54(12): 7461-7470, (2020).
Organization: U.S. Environmental Protection Agency
Organization URL: https://catalog.data.gov/organization/epa
Last updated: 2019-06-17
Tags: DSSTox, ToxCast database, adverse outcome pathway, molecular initiating event, structural alert, structure activity relationship (SAR)
