HT-H295R data was downloaded using the ToxCast pipeline (tcpl) R package and is publicly available. Multi-concentration level 0 data from invitrodb (version 3.1) were downloaded and converted from g/ml into micromolar concentrations prior to calculation of mMds and data simulation (Supplemental Data 1). This dataset is associated with the following publication: Haggard, D., W. Setzer, R. Judson, and K. Friedman. Development of a prioritization method for chemical-mediated effects on steroidogenesis using an integrated statistical analysis of high-throughput H295R data. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, USA, 109: 104510, (2019).

HT-H295R data was downloaded using the ToxCast pipeline (tcpl) R package and is publicly available. Multi-concentration level 0 data from invitrodb (version 3.1) were downloaded and converted from g/ml into micromolar concentrations prior to calculation of mMds and data simulation (Supplemental Data 1). This dataset is associated with the following publication: Haggard, D., W. Setzer, R. Judson, and K. Friedman. Development of a prioritization method for chemical-mediated effects on steroidogenesis using an integrated statistical analysis of high-throughput H295R data. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, USA, 109: 104510, (2019).

Disruption of steroidogenesis by environmental chemicals can result in altered hormone levels causing adverse reproductive and developmental effects. A high-throughput assay using H295R human adrenocortical carcinoma cells was used to evaluate the effect of 2060 chemical samples on steroidogenesis via high-performance liquid chromatography followed by tandem mass spectrometry quantification of 10 steroid hormones, including progestagens, glucocorticoids, androgens, and estrogens. The study employed a 3 stage screening strategy. The first stage established the maximum tolerated concentration (MTC; ≥ 70% viability) per sample. The second stage quantified changes in hormone levels at the MTC whereas the third stage performed concentration-response (CR) on a subset of samples. At all stages, cells were prestimulated with 10 µM forskolin for 48 h to induce steroidogenesis followed by chemical treatment for 48 h. Of the 2060 chemical samples evaluated, 524 samples were selected for 6-point CR screening, based in part on significantly altering at least 4 hormones at the MTC. CR screening identified 232 chemical samples with concentration-dependent effects on 17β-estradiol and/or testosterone, with 411 chemical samples showing an effect on at least one hormone across the steroidogenesis pathway. Clustering of the concentration-dependent chemical-mediated steroid hormone effects grouped chemical samples into 5 distinct profiles generally representing putative mechanisms of action, including CYP17A1 and HSD3B inhibition. A distinct pattern was observed between imidazole and triazole fungicides suggesting potentially distinct mechanisms of action. From a chemical testing and prioritization perspective, this assay platform provides a robust model for high-throughput screening of chemicals for effects on steroidogenesis. This dataset is associated with the following publication: Karmaus , A., C. Toole, D. Filer , K. Lewis, and M. Martin. (Toxicological Sciences) High-throughput screening of chemical effects on steroidogenesis using H295R human adrenocortical carcinoma cells. TOXICOLOGICAL SCIENCES. Society of Toxicology, 150(2): 323-332, (2016).

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 estrogen and androgen production specifically via comparison with the OECD-validated H295R assay. This dataset is associated with the following publication: Haggard, D., A. Karmaus, M. Martin, R. Judson, W. Setzer, and K. Paul-Friedman. (Toxicological Sciences) High-throughput H295R steroidogenesis assay: utility as an alternative and a statistical approach to characterize effects on steroidogenesis. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 162(2): 509-534, (2018).

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 estrogen and androgen production specifically via comparison with the OECD-validated H295R assay. This dataset is associated with the following publication: Haggard, D., A. Karmaus, M. Martin, R. Judson, W. Setzer, and K. Paul-Friedman. (Toxicological Sciences) High-throughput H295R steroidogenesis assay: utility as an alternative and a statistical approach to characterize effects on steroidogenesis. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 162(2): 509-534, (2018).

This data includes metabolite predictions for in vitro inactive chemicals, predictions of those metabolite's estrogen receptor binding activity, in vitro and in silico information regarding parent compound binding activities, linking of metabolite structures and routes to parent compounds, and estimates of binding activity obtained from literature when possible. This dataset is associated with the following publication: Leonard, J., C. Stevens, K. Mansouri, D. Chang, H. Pudukodu, S. Smith, and C. Tan. A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 6: 71-83, (2018).

This data includes metabolite predictions for in vitro inactive chemicals, predictions of those metabolite's estrogen receptor binding activity, in vitro and in silico information regarding parent compound binding activities, linking of metabolite structures and routes to parent compounds, and estimates of binding activity obtained from literature when possible. This dataset is associated with the following publication: Leonard, J., C. Stevens, K. Mansouri, D. Chang, H. Pudukodu, S. Smith, and C. Tan. A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 6: 71-83, (2018).

computational chemistry data (very complex; need to be an expert to understand and use. This dataset is associated with the following publication: Lee, S., and M. Barron. 3D-QSAR Study of Steroidal and Azaheterocyclic Human Aromatase Inhibitors using Quantitative Profile of Protein-Ligand Interactions. Journal of Cheminformatics. Springer, New York, NY, USA, 10(2): 1-13, (2018).

computational chemistry data (very complex; need to be an expert to understand and use. This dataset is associated with the following publication: Lee, S., and M. Barron. 3D-QSAR Study of Steroidal and Azaheterocyclic Human Aromatase Inhibitors using Quantitative Profile of Protein-Ligand Interactions. Journal of Cheminformatics. Springer, New York, NY, USA, 10(2): 1-13, (2018).

A liquid chromatogrpahy mass spectrometry (LC-MS) method was developed for the analysis of 13 endogenous steroids. The method was validated using both fish plasma and fish holding water. The method was applied to the assessment of endocrine disruption by analyzing plasma of fathead minnows exposed to fadrozole, and by analyzing holding water from Japanese medaka exposed to fadrozole. This dataset is associated with the following publication: Blackwell, B., and G. Ankley. Simultaneous determination of a suite of endogenous steroids by LC-APPI-MS: Application to the identification of endocrine disruptors in aquatic toxicology. Journal of Chromatography B. Elsevier Science Ltd, New York, NY, USA, 1163: 122513, (2021).