App characteristics

The STopTox app is a fast, reliable, and user-friendly tool available as an alternative method for assessing the potential of chemicals to cause acute toxicity. The acute toxicity tests are used to identify hazard potentials resulting from short exposure times. The battery of in vivo assays commonly known as “6 pack” assays are required by many regulatory agencies to evaluate several aspects of acute toxicity in humans, including acute oral toxicity, acute dermal toxicity, acute inhalation toxicity, skin irritation and corrosion, eye irritation and corrosion, and skin sensitization. The indiscriminate use of animals in laboratory tests have been a public and political concern. Despite some progress in developing alternative methods for assessing the toxicity potential of chemical substances, there are few in vitro tests developed to address all “6-pack” endpoints. Machine Learning (ML) models provide a rapid screening approach and contribute valuable information for the assessment of chemical toxicity. The app provides easy and reliable means for end users to make predictions using externally validated QSAR models for each of the “6-pack” tests based on experimental animal data. The predictions for a single compound run in a few seconds and the app does not require computational of programming skills from the user. The curated datasets used in this study can be downloaded from here.

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For more information, please refer to our paper: Borba, J. V. B., Alves, V. M., Braga, R. C., Korn, D. R., Overdahl, K., Silva, A. C., Hall, S. U. S., Overdahl, E., Kleinstreuer, N., Strickland, J., Allen, D., Andrade, C. H., Muratov, E. N., & Tropsha, A. (2022). STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity. Environmental Health Perspectives, 130(2).