[POTENTIAL COLLABORATION] Integrated Chemical Environment (ICE)

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Integrated Chemical Environment (ICE)

The Integrated Chemical Environment (ICE) was developed by the US National Institute of Environmental Health Sciences (NIEHS) and the National Institutes of Health (NIH) within the US National Toxicology Program (NTP). ICE is an open access online platform which integrates in silico and in vitro tools and data for chemical risk assessment (Hines et al. 2022, NTP 2022). In ICE, the model codes are available on GitHub (Hines et al. 2022, NTP 2022). This platform includes a user-friendly interface which allows notably for:

• chemical characterization (e.g. ADME parameter estimations through Quantitative Structure-activity/property Relationship (QSAR/QSPR) App, “OPERA”),
• adaptation and use of PBPK models (encoded using the US EPA httk R package),
• IVIVE estimations,
• access to in vitro and in vivo curated toxicological data

The ICE and interest for potential collaborations with ICE creators was earlier described in the working document entitled: "Proposals for Modelling within VHP4Safety, Model group".

• Does the service require a login? NO
• Technology Readiness Level (TRL)?
• API Type? REST | SOAP | other
• Who are the targeted users? VHP4Safety objectives are aligned with those of ICE. Potential collaborations with ICE creators may be useful.
• Relevant VHP4Safety Case Study?

Specification

• Provided by? National Toxicology Program (NTP), US Department of Health and Human Services
• Citation? doi: 10.3389/fphar.2022.864742; https://ice.ntp.niehs.nih.gov/
• Version?
• License?
• Source Code?
• Docker?
• ELIXIR Bio.tools?
• ELIXIR TeSS?

Start by reviewing the ICE platform at https://ice.ntp.niehs.nih.gov/ and the cited Frontiers paper (doi: 10.3389/fphar.2022.864742). Determine the missing service-catalog details requested in the specification, including API type, version, license, source code, Docker, Bio.tools, and TeSS, then document the relevant collaboration and case-study information.