10.23645/epacomptox.10321994.v1
EPA's Center for Computational Toxicology and Exposure
EPA's
Center for Computational Toxicology and Exposure
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity (COMPARA) Data: Data Associated with Publication
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure
2019
androgen receptor
QSAR Modeling
chemical structure similarity
Predictive models
Toxicology
2019-11-18 17:57:43
Dataset
https://epa.figshare.com/articles/dataset/CoMPARA_Collaborative_Modeling_Project_for_Androgen_Receptor_Activity_COMPARA_Data_Data_Associated_with_Publication/10321994
<p>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 Data Associated with Publication Set.</p>