{"accessLevel": "public", "bureauCode": ["020:00"], "contactPoint": {"fn": "Grace Patlewicz", "hasEmail": "mailto:patlewicz.grace@epa.gov"}, "description": "Code repository, data files, and supplementary information for \"Grace Patlewicz, Katie Paul-Friedman, Keith Houck, Li Zhang, Ruili Huang, Menghang Xia, Jason Brown, Steven O. Simmons, Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library, Computational Toxicology, Volume 26, 2023, 100271, ISSN 2468-1113, https://doi.org/10.1016/j.comtox.2023.100271.\". \n\nThis dataset is associated with the following publication:\nPatlewicz, G., K. Friedman, K. Houck, L. Zhang, R. Huang, M. Xia, J. Brown, and S. Simmons. Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library.   Computational Toxicology. Elsevier B.V., Amsterdam,  NETHERLANDS, 26: 100271, (2023).", "distribution": [{"accessURL": "https://doi.org/10.23645/epacomptox.22587706", "title": "https://doi.org/10.23645/epacomptox.22587706"}, {"accessURL": "https://github.com/g-patlewicz/msti-tox21", "title": "https://github.com/g-patlewicz/msti-tox21"}, {"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1528798/Supplementary%20Information.docx", "mediaType": "application/vnd.openxmlformats-officedocument.wordprocessingml.document", "title": "Supplementary Information.docx"}], "identifier": "https://doi.org/10.23719/1528798", "keyword": ["In silico prediction models", "Reactivity assay", "Tox21", "reaction mechanistic domains"], "license": "https://pasteur.epa.gov/license/sciencehub-license.html", "modified": "2023-04-08", "programCode": ["020:000"], "publisher": {"name": "U.S. EPA Office of Research and Development (ORD)", "subOrganizationOf": {"name": "U.S. Environmental Protection Agency", "subOrganizationOf": {"name": "U.S. Government"}}}, "references": ["https://doi.org/10.1016/j.comtox.2023.100271"], "rights": null, "title": "Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library"}