On June 7, NICEATM released version 3.4 of the Integrated Chemical Environment (ICE). ICE provides data and tools to help develop, assess, and interpret chemical safety tests. This release adds new tools and expanded capabilities to the existing ICE resources.
ICE version 3.4 includes the following new tools and expanded capabilities:
- Chemical Quest (Beta): uses fingerprints to predict structure similarity.
- Drawing of 2D structures (part of the Chemical Quest tool): users can draw their own structures and query ICE for all chemicals that are similar to the drawn structure.
- Query by multiple chemical identifiers: CASRNs, DTXSIDs, SMILES or InChiKeys are now accepted as inputs into all ICE tools.
- Send assays to other ICE tools: users can switch between ICE tools and keep the same assays selected.
New data and data updates include:
- Developmental/reproductive in vivo assays from NTP and the European Chemicals Agency.
- Dermal irritation in vivo assays (rat Draize skin irritation/corrosion test).
- Updates to ICE curated high-throughput screening data and data from the Open Structure-activity/property Relationship App (OPERA).
ICE is available at https://ice.ntp.niehs.nih.gov/