ICE: Integrated Chemical Environment
Successful computational toxicology projects depend on high-quality data that is freely available and formatted for use in computational workflows. The Integrated Chemical Environment was developed to address the needs frequently expressed by NICEATM stakeholders. Launched in March 2017, ICE provides high-quality, curated data from NICEATM, its partners, and other resources, as well as tools to facilitate chemical safety assessment. The ICE Integrator allows users to easily query and integrate data streams; query results can be explored interactively in table and graphic views.
The current version includes data from animal and non-animal tests that assess regulatory endpoints such as acute oral toxicity, skin and eye irritation, skin sensitization, and endocrine activity. It also contains curated high throughput screening data from the Tox21 consortium and physicochemical property data on chemicals including solubility, melting point, and molecular weight.
In March 2018, ICE was updated to add a formulations viewer that allows users to explore toxicity data on about 700 formulations and their active ingredients. This update also updated and expanded physicochemical property predictions, updated androgen and estrogen pathway model predictions, and improved filtering on assay endpoints. Additional updates planned for the near future include interactive workflows for prediction of physicochemical property data; chemical use category information; and in vitro to in vivo extrapolation predictions using ICE data.