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

posted on 29.03.2018, 16:48 by EPA's National Center for Computational Toxicology
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 Training Set.


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