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CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity (COMPARA) Data:Training Set+Prediction Set

posted on 2019-11-18, 16:56 authored by EPA'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 Training and Prediction Set.