Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library
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).
Resources
| Name |
Format |
Description |
Link |
|
0 |
|
https://doi.org/10.23645/epacomptox.22587706 |
|
0 |
|
https://github.com/g-patlewicz/msti-tox21 |
|
10 |
Supplementary%20Information.docx |
https://pasteur.epa.gov/uploads/10.23719/1528798/Supplementary%20Information.docx |
Tags
- tox21
- reaction-mechanistic-domains
- reactivity-assay
- in-silico-prediction-models