jablonkagroup/

ACEMol-Toxic

This collection is contains the synthetic toxicity dataset used in the 'Beyond Learning on Molecules by Weakly Supervising on Molecules'.

@article{prastalo2026learning, title={Beyond Learning on Molecules by Weakly Supervising on Molecules}, author={Gordan Prastalo and Kevin Maik Jablonka}, journal={arXiv preprint arXiv:2602.04696}, year={2026} }