On March 20, NICEATM released version 4.0 of the Integrated Chemical Environment (ICE). ICE provides data and tools to help query, review, and interpret toxicological data, predictions, and tools. ICE is available at https://ice.ntp.niehs.nih.gov/.

Key features implemented in ICE 4.0 are:

  • Updated Search results page with improved data navigation and query summary visualizations.
  • A new Exposure Predictions data set. This can be downloaded from the Data Sets page or via the ICE REST API. Exposure predictions can also be visualized as an overlay option in the ICE IVIVE (In Vitro to In Vivo Extrapolation) tool results.
  • Updates to the ICE PBPK (Physiologically Based Pharmacokinetic) and IVIVE tools:
    • The httk R package has been updated to the newest version, v2.2.2.
    • A human gestational model from httk v2.2.2 has been added to both tools.
    • Predicted half-life and area under curve values are available in PBPK model output.
    • A new chemical concentration unit, parts per million per unit volume (ppmv), is available when modeling chemical exposure as gas.
  • Acceptance of chemical names and synonyms as input.

NICEATM has also released the DASS App, a web app for predicting skin sensitization hazard and potency. The DASS App takes a user-provided data set and applies defined approaches on skin sensitization (DASS) that are described in OECD Guideline No. 497 and by the U.S. Environmental Protection Agency. The defined approaches predict skin sensitization hazard (either a sensitizer or non-sensitizer) and potency by integrating data from in vitro assays and in silico hazard predictions. The DASS App is available at https://ntp.niehs.nih.gov/go/952311.