posted on 2019-11-18, 17:54authored byEPA's Center for Computational Toxicology and Exposure
Data and supplemental files from COMPARA (A large-scale
modeling project). COMPARA combined multiple models developed in collaboration
with modelers and computational toxicology scientists from 25 international
groups to predict androgen receptor activity of a common set of 55,450 chemical
structures. Quantitative structure-activity relationship models and docking
approaches were employed to build a total of 91 predictive models for binding,
agonist, and antagonist. This link provides the COMPARA Individual models Set.