Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library
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.".
This dataset is associated with the following publication:
Patlewicz, 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).
Complete Metadata
| accessLevel | public |
|---|---|
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| contactPoint |
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"fn": "Grace Patlewicz",
"hasEmail": "mailto:patlewicz.grace@epa.gov"
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| 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.". This dataset is associated with the following publication: Patlewicz, 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 |
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{
"title": "https://doi.org/10.23645/epacomptox.22587706",
"accessURL": "https://doi.org/10.23645/epacomptox.22587706"
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"title": "https://github.com/g-patlewicz/msti-tox21",
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"title": "Supplementary Information.docx",
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| 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 |
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| publisher |
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"name": "U.S. EPA Office of Research and Development (ORD)",
"subOrganizationOf": {
"name": "U.S. Environmental Protection Agency",
"subOrganizationOf": {
"name": "U.S. Government"
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|
| 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 |
