dmis-lab/ToxReason

ToxReason 🚀 Accepted at ACL 2026 Findings ToxReason is a benchmark dataset for mechanistic chemical toxicity reasoning based on Adverse Outcome Pathways (AOPs). The dataset is designed to evaluate whether large language models can generate biologically interpretable toxicity reasoning trajectories that connect molecular structures, Molecular Initiating Events (MIEs), pathway perturbations, and organ-level adverse outcomes. Dataset Overview ToxReason consists of… See the full description on the dataset page: https://huggingface.co/datasets/dmis-lab/ToxReason.