The highly valuable and structurally relevant data delivered through eTOX provides a useful resource for the development and provision of predictive models*. Expert model developers have provided well-documented and verified predictive models for endpoints including ADME, organ toxicity and target safety pharmacology. Built on a chemical space that is highly relevant to drug development and accessed via the intuitive eTOXsys interface, these models provide a valuable aid to decision making on drug candidates.
Several models have been created in eTOXlab, an open source modelling framework for developing, using and maintaining predictive models1. These models can be augmented with suitable in-house data, resulting in enhanced predictivity for proprietary chemical space.
*The predictive models are sold separately to the eTOXsys platform
- Carrió et al. (2015) ‘eTOXlab, an open source modeling framework for implementing predictive models in production environments’, Journal of Cheminformatics, 7:8, http://dx.doi.org/10.1186/s13321-015-0058-6