Expanded Tox21 Assay Panel for Drug-Induced Liver Injury and Cardiotoxicity Prediction

Tuan Xu published an expanded Tox21 biological assay panel on figshare in 2026. The dataset includes assay data from an expanded panel of 49 targets, compared to a pre-existing panel of 36, to improve predictions of drug-induced liver injury and cardiotoxicity. It is a 2.0 MB XLSX file containing data likely used to build machine learning models for toxicity prediction.

Use Cases

• Predicting drug-induced liver injury (DILI) potential based on expanded in vitro assay data.
• Predicting drug-induced cardiotoxicity (DICT) potential based on expanded in vitro assay data.
• Training machine learning models that combine assay data with chemical structure information for toxicity prediction.
• Identifying new potentially toxic compounds from the Tox21 10K compound library using the provided models.

Strengths

• Includes data from an expanded panel of 49 biological assay targets, which the description states improved predictive capacity.
• Models built with the expanded panel required a smaller number of assays to achieve the same performance level as those using the pre-existing 36-assay panel.
• The dataset is associated with a specific study where compounds predicted to have high toxic potential were experimentally verified.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Data may reflect the specific experimental and source bias inherent to the Tox21 program and figshare.

Provenance

Source

figshare, author Tuan Xu.

Collection Method

Assay data from the Tox21 program, likely generated through high-throughput screening.

Freshness

Last updated 2026-04-28 13:06:10; freshness should be verified.