CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity (COMPARA) Data: Evaluation Set
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资源简介：
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.
提供机构：
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure创建时间：
2019-11-18
