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).