zpn/tox21_srp53

Dataset Card for tox21_srp53 Dataset Summary tox21_srp53 is a dataset included in MoleculeNet. It is the p53 stress-response pathway activation (SR-p53) task from Tox21. Dataset Structure Data Fields Each split contains smiles: the SMILES representation of a molecule selfies: the SELFIES representation of a molecule target: clinical trial toxicity (or absence of toxicity) Data Splits The dataset is split into an… See the full description on the dataset page: https://huggingface.co/datasets/zpn/tox21_srp53.