On October 20, NICEATM released an update of the Integrated Chemical Environment (ICE). ICE provides data and tools to help develop, assess, and interpret chemical safety tests. This update adds the following features to these ICE tools.

  • In Vitro to In Vivo Extrapolation (IVIVE): a new inhalation model from the U.S. Environmental Protection Agency (EPA) httk package (https://cran.r-project.org/web/packages/httk/index.html) is available that allows estimation of an equivalent administered dose based on a gas exposure. The IVIVE tool also now allows the user to specify whether experimental or predicted data are used for absorption, distribution, metabolism, and excretion (ADME) parameters.
  • Chemical Characterization: query results are now displayed using two principal component analysis plots: a static plot that compares query chemicals to a background of a larger chemical set and a dynamic plot that compares query chemicals to one another based on physicochemical properties or molecular descriptors.

Other new resources in ICE 3.2 include:

ICE is available at https://ice.ntp.niehs.nih.gov/.