Nuclear receptor modulators: Catching information by machine learning

Nuclear receptors (NRs) are involved in fundamental human health processes and a relevant target for toxicological risk assessment. To help prioritize chemicals that can mimic natural hormones be endocrine disruptors, computational models useful tool.1,2 In this work we i) created an exhaustive collection of NR modulators ii) applied machine learning methods to fill the data-gap NRs by building predictive models.