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iS-Tox® Platform – made by Altox

The In Silico Toxicology Platform (iS-Tox®) aims to facilitate the use of in silico models for regulatory purposes using artificial intelligence algorithms to explore toxicological and chemical spaces. 

Our platform and tools allow companies and scientists to evaluate the toxicity of chemicals for regulatory purposes using a combination of highly predictive in silico tools, if necessary, combined with real-time expert reviews and in cerebro assessments.

  • New molecules
  • Cosmetic ingredients
  • Drug impurities and degradation products
  • Biocides
  • Food contact materials
  • Contaminants and impurities

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Statistical-, rule-, and knowledge-based models and advanced machine and deep learning algorithms are used in our regulatory-based framework. The expertise behind the selected algorithms, existing experimental data, and in cerebro expert reviews help users find toxicity patterns in many molecules, eliminate more toxic candidates, and deliver outstanding results by integrating the experimental data, models, and knowledge.

The quantitative structure-toxicity relationship (QSTR), structural alerts, machine learning-based models, and all knowledge about regulatory criteria in our tools are used to identify patterns of biological activity and fill gaps in safety assessments.

The in silico tools and models developed for toxicity assessments can be implemented in tiered testing approaches, such as integrated testing strategies (ITS), integrated approaches to testing and assessment (IATA), and adverse outcome pathways (AOP) frameworks, balancing transparency, mechanistic interpretability, and predictivity.

The iS-Tox® Platform Project was sponsored by FAPESP (process number 2016/08322-5)


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