AI-SHIPS ToxDB

Summary

The “AI-SHIPS (AI-based Substance Hazard Integrated Prediction System)” project, which was sponsored by the Ministry of Economy, Trade and Industry (METI), was launched in 2017 and was completed in 2021. Please see here for more information on AI-SHIPS.

In the project, AI-SHIPS chemical toxicity database, which includes toxicological findings from repeated-dose subacute (periods are >=28 days and <90 days) toxicity studies in male rats, was developed by collecting the following publicity available data and organizing them.

・Rat repeated-dose toxicity study data included in HESS (as of July 2019)
・Rat repeated-dose toxicity study data from published review sheets for new chemical substances under the Chemical Substances Control Law, which can be downloaded from NITE J-CHECK .
・Rat repeated-dose toxicity study data of substances for which the chemical structures were identified, which were available for download from the European Chemicals Agency (ECHA) webpage

The compound information, such as SMILES, in AI-SHIPS ToxDB is listed after re-checking the sources of the toxicity study data and considering chemical properties. Therefore, some of them may differ from the original information mentioned above.

Use of Agreement for AI-SHIPS ToxDB

・All copyrights to AI-SHIPS ToxDB belong to the Nara Institute of Science and Technology (NAIST), a national university corporation, which has granted permission to AIST to use the database.
・Users are requested to clearly cite AI-SHIPS ToxDB when publishing results obtained by using AI-SHIPS ToxDB.
・No warranty is provided with respect to the accuracy or completeness of information in AI-SHIPS ToxDB.
・No compensation is provided for any (material or non-material) loss or damage incurred by users or third parties as a result of the use of information in AI-SHIPS ToxDB.

Download

If you agree to the Use of Agreement and would like to download the AI-SHIPS ToxDB (as of February 14, 2024), please fill out the questionnaire here .