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 (ICE) addresses the data 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 the safety assessment of chemicals.
The current version of 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 Integrator tool enables users to easily query and integrate data streams, and then to explore the results interactively in table and graphic views.
In April 2018, ICE was updated to add a formulations view that allows users to explore toxicity data on approximately 700 formulations and their active ingredients. This new version also updated and expanded physicochemical property predictions; updated androgen and estrogen pathway model predictions; added rat acute oral LD50 data from a NICEATM predictive modeling project; 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.