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.

CERAPP（一项大规模建模项目）的数据和补充文件。CERAPP结合了美国和欧洲17个团队共同开发的多个模型，以预测32464种化学结构的雌激素受体活性。通过定量构效关系模型和对接方法，构建了40个分类模型和8个连续模型，以预测结合、激动剂和拮抗剂雌激素受体的活性。此链接提供了CERAPP模型。