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).
Resources
3 resources available
-
https://doi.org/10.23645/epacomptox.22587706
FILE -
https://github.com/g-patlewicz/msti-tox21
FILE -
Supplementary Information.docx
APPLICATION/VND.OPENXMLFORMATS-OFFICEDOCUMENT.WORDPROCESSINGML.DOCUMENT
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Complete Metadata
| @type | dcat:Dataset |
|---|---|
| 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.". 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 |
[ { "title": "https://doi.org/10.23645/epacomptox.22587706", "accessURL": "https://doi.org/10.23645/epacomptox.22587706" }, { "title": "https://github.com/g-patlewicz/msti-tox21", "accessURL": "https://github.com/g-patlewicz/msti-tox21" }, { "title": "Supplementary Information.docx", "mediaType": "application/vnd.openxmlformats-officedocument.wordprocessingml.document", "downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1528798/Supplementary%20Information.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 |
