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.
Updates to ICE in 2020 improved the In Vitro to In Vivo Extrapolation (IVIVE) tool. ICE now allows users to upload their own data for IVIVE analyses. Other improvements include:
- New physiologically based toxicokinetic model.
- Model for inhalation route of exposure from the EPA httk package.
- Improved output graphics.
- Selection of assays based on mode of action.
- Option for user to specify use of experimental or predicted data for absorption, distribution, metabolism, and excretion (ADME) parameters.
ICE 3.2, launched in October 2020, also added a new visualization option to the principal component analysis plots in the Chemical Characterization tool. Other resources added in ICE 3.2 include:
- A new “Genotoxicity” reference chemical list
- Ability to send Search query results directly to the EPA CompTox Chemicals Dashboard.
- Links from chemical identifiers in the Chemicals Search results to information on chemicals in the NTP Chemical Effects in Biological Systems database as well as the EPA CompTox Chemicals Dashboard.
- Improved user help for graphics tools.
A July 2019 webinar provided an overview of the May 2019 ICE 2.0 update, featuring a live demonstration of ICE and its newly added features. The webinar was hosted by the PETA International Science Consortium and is available on their website.
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.