ICE: Integrated Chemical Environment
Successful computational toxicology projects depend on high-quality data that are freely available and formatted for use in computational workflows. The Integrated Chemical Environment (ICE) addresses the data needs frequently expressed by NICEATM stakeholders. Launched in March 2017, ICE provides curated data from NICEATM, its partners, and other resources, as well as tools to facilitate the safety assessment of chemicals.
ICE version 3.3, launched in March 2021, added two new tools. The ICE Curve Surfer tool allows users to view and interact with concentration-response curves from curated high-throughput screening data. The ICE PBPK tool, which uses models from the EPA httk package, allows users to generate predictions of tissue-specific chemical concentration profiles following a dosing event.
Other improvements launched in 2021 include:
- Detailed visualizations of ICE Search results.
- Upload of user in vivo data to the ICE IVIVE tool.
- New visualizations of query results from the ICE Chemical Characterization tool, including bioactivity PCA plots and the Consumer Use Explorer, which allows users to view chemical use categories from the EPA Consumer Products Database (CPDat).
- New data for cancer, developmental and reproductive toxicity, and skin sensitization endpoints.
ICE includes data from animal and non-animal tests that measure toxic effects described in chemical safety regulations. These effects include acute oral toxicity, skin and eye irritation, skin sensitization, and endocrine activity. ICE also contains curated, high-throughput screening data from the Tox21 consortium and physicochemical property data about chemicals including solubility, melting point, and molecular weight. The ICE Search tool enables users to easily query and integrate data streams, and then to explore the results interactively.