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

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 Prediction Set.

数据与补充文件来自CERAPP（一项大规模建模项目）。CERAPP通过与美国和欧洲17个团队的合作，整合了多个模型，以预测32464个常见化学结构的雌激素受体活性。在构建过程中，采用了定量构效关系模型和对接方法，共计建立了40个分类模型和8个连续模型，用于预测结合、激动剂和拮抗剂雌激素受体的活性。此链接提供了CERAPP预测集。