Tox21mer, A transformer foundation model for Tox21 high-throughput concentration-response curves data
The paper introduces Tox21mer, a 43.5-million-parameter transformer foundation model pretrained on 2.5 million Tox21 concentration-response curves via masked-response reconstruction, which generates high-quality 768-dimensional embeddings that achieve state-of-the-art performance in predicting assay outcomes and AC50 values while enabling extrapolation to untested compounds.