hERG (cardio-tox) TDC

Cardiac tox benchmark (hERG inhibition) — standardized from Wang et al.

Composite

73.9

Experimental validation

Retrospective

Stages

IND-enablingLead ID / ADMET

Modalities

small-molecule

Task types

toxicity-classification

Size

molecules: 655
assays: 1

License

MIT

First release

2021-02

Last updated

2025-01

Official site

→ project page

Leaderboard

→ leaderboard

Dataset

→ dataset

Code / GitHub

→ repository

HuggingFace

→ HF

Paper

Therapeutics Data Commons · Huang K, Fu T, et al. · 2021 · paper · doi:10.48550/arXiv.2102.09548 · 620 citations

Flags

none

Experts

Kexin Huang

Groups

Therapeutics Data Commons

Hosted by

Therapeutics Data Commons (TDC), ScienceAIBench, Drug Discovery Benchmarks (DDB)

Related benchmarks

TDC ADMET Group, AMES (mutagenicity)

Rubric (7-criterion)

rigor

coverage

maintenance

adoption

quality

accessibility

industry_relevance

Notes

Small but widely benchmarked. Industry pairs with SafetyPanel-5.

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