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CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity (COMPARA) Data: Evaluation Set
dataset
posted on 2019-11-18, 17:50authored 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 Evaluation Set.