Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Models

Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Models.

本数据集包含CERAPP（一项大型建模项目）的相关数据与补充文件。CERAPP联合美国与欧洲共17个研究团队合作开发多款模型，针对32464种统一化学结构的雌激素受体（estrogen receptor）活性开展预测。该项目团队采用定量构效关系模型与分子对接方法，共计构建40个分类模型与8个连续模型，用于预测ER的结合、激动剂及拮抗剂活性。本链接可获取CERAPP模型集。