TOX21_README

The “Toxicology in the 21st Century” (Tox21) initiative created a public database measuring toxicity of compounds, which has been used in the 2014 Tox21 Data Challenge. This dataset contains qualitative toxicity measurements for 8k compounds on 12 different targets, including nuclear receptors and stress response pathways.

The data file contains a csv table, in which columns below are used:
     "smiles" - SMILES representation of the molecular structure
     "NR-XXX" - Nuclear receptor signaling bioassays results
     "SR-XXX" - Stress response bioassays results
	please refer to the links at https://tripod.nih.gov/tox21/challenge/data.jsp for details.

References:
Tox21 Challenge. https://tripod.nih.gov/tox21/challenge/