CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity (COMPARA) Data: Consensus models

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 Consensus models Set.COMPARA（大型建模项目）的数据集及补充文件。COMPARA整合了与来自25个国际团队的建模人员和计算毒理学科学家（computational toxicology scientists）合作开发的多种模型，用于预测由55,450种化学结构组成的通用集合的雄激素受体（androgen receptor）活性。研究采用定量构效关系模型（Quantitative Structure-Activity Relationship models）和分子对接方法（docking approaches），构建了共计91个针对结合、激动剂和拮抗剂的预测模型。本链接提供COMPARA共识模型集。