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 July 2017, ICE was updated to add a new section with downloadable workflows for predictions of physicochemical properties, skin sensitization potency, and adverse outcome pathway mapping, plus new data from skin and eye irritation studies. The next update is scheduled for January 2018 and will include additional workflows, developmental toxicity data, and data on pesticide formulations.