This is a curated dataset of nuclear receptor modulators. It contains bioactivity annotations for 15,206 molecules and 11 selected Nuclear Receptors (NRs) obtained by integrating and curating data from toxicological and pharmacological databases. Details on the data curing and dataset content can be found in the following study: Valsecchi, C., Grisoni, F., Motta, S., Bonati, L., Ballabio, D. (2020) NURA: a curated dataset of nuclear receptor modulators, Toxicology and Applied Pharmacology, 407, 115244 [link]
Conditions and warranty
The dataset is freeware and may be used if proper reference is given to the authors. Please, refer to the following paper:
Valsecchi, C., Grisoni, F., Motta, S., Bonati, L., Ballabio, D. (2020) NURA: a curated dataset of nuclear receptor modulators, Toxicology and Applied Pharmacology, 407, 115244 [link]
Download
The dataset is associated to a DOI (10.5281/zenodo.3991562) and can be downloaded at Zenodo: https://doi.org/10.5281/zenodo.3991561