ICE update features taxonomies and help videos

NICEATM has released Version 4.1.1 of the Integrated Chemical Environment (ICE). ICE provides chemical safety data and property predictions as well as tools to help query, review, and contextualize these data. ICE is available at https://ice.ntp.niehs.nih.gov/.

ICE 4.1.1 includes a download file providing ClassyFire (Djoumbou Fenang et al. 2016; https://doi.org/10.1186/s13321-016-0174-y) chemical taxonomies for over one million chemicals, including all chemicals with U.S. Environmental Protection Agency (EPA) Distributed Structure-Searchable Toxicity (DSSTox) identifiers. ClassyFire is a structure-based chemical taxonomy tool providing 4,825 classifications across 11 hierarchical levels. The current release provides the ClassyFire taxonomies via a download file from the ICE Data Sets page (https://ice.ntp.niehs.nih.gov/DATASETDESCRIPTION); incorporation of the taxonomies into ICE tools is planned for a future release.

ICE 4.1.1 also provides updates to all ICE help videos (available at https://ice.ntp.niehs.nih.gov/ICEVIDEOS) and implements bug fixes to optimize functioning of the ICE website.