https://ntp.niehs.nih.gov/go/n463616

Integrated Chemical Environment tools updates

The Integrated Chemical Environment (ICE), developed by NICEATM, provides data and tools to help develop, assess, and interpret chemical safety tests. Improvements made in the March 2023 version 4.0 update allowed users to query ICE using chemical names and their synonyms, as well as with existing chemical identifier options. Other updates to ICE during 2022 and 2023 added help videos, new Chemical Quick Lists, and application programming interfaces supporting the REST APIs. The updates also increased the utility and versatility of the resource’s tools.

  • An updated Results view for the Search tool improved data navigation and provided query summary visualizations.
  • The March 2023 update of the In Vitro to In Vivo Extrapolation (IVIVE) tool incorporated models from EPA’s httk version 2.2.2, including a new gestational model allowing modeling of maternal and fetal chemical distribution. Users can now upload their own in vitro data for modeling, as well as their own in vivo data for comparison to predictions based on in vitro data. Users can compare predictions to population level exposure predictions from EPA’s SEEM3. The tool’s inhalation model has been updated to allow the input of chemical concentration in parts per million per unit volume.
  • A rebranded "Curated Product Use Explorer" in the Chemical Characterization tool expands and improves upon the former "Consumer Use Explorer." A new Functional Use Explorer allows the graphical distribution of chemical lists across functional use categories.
  • The Curve Surfer tool, which allows users to view and interact with concentration–response curves from curated high-throughput screening (cHTS) data, has new options to view and filter results.
  • Updates to the Physiologically Based Pharmacokinetics (PBPK) tool incorporated models from the EPA’s httk version 2.2.2, including the new gestational model. The inhalation model has been updated to allow the input of chemical concentration in parts per million per unit volume. The tool output download files were also updated to include predicted half life and area-under-curve values.
  • The Chemical Quest tool has been fully implemented and updated to allow users to identify chemicals in the ICE database having similar structures to a query chemical, as well as new options to filter results. Users can now perform similarity searches based on user-defined chemical lists.