Accessing ER Binding Dataset (Estrogen Receptor)
Accessing ER Binding Dataset with link to EDKB Database or ER Binding Dataset SD File and contact information for questions or suggestions.
Blair (2000) and Branham (2002) published the EDKB Estrogen Receptor (ER) binding dataset that was produced expressly as a training set designed for developing predictive models. The data is based on a validated assay using rat uteri. The dataset contains 131 ER binders and 101 non-ER binders. This structurally diverse data set has 312 predictors generated using the Molconn-Z software 4.07 and was analyzed using CERP (Ahn et al., 2007). These training set chemicals were selected for both chemical structure diversity and range of activity, both of which are essential to develop robust QSAR and other models (Perkins, 2003). Guided by the SAR studies described by Fang (2001), the chemicals were selected to provide uniform coverage of a diverse chemical structure domain, as well coverage of an activity range extending down a million-fold below that of the endogenous hormones.
This dataset is available in one of two ways:
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Option 1: EDKB Database
Step 1: Access the web-based EDKB by clicking here:
https://nctr-crs.fda.gov/edkb/Home
Step 2: Select ER binding dataset in "Assay Type" at bottom left panel. -
Option 2: Download ER Binding Dataset SD File
Contact Information
Please address any questions and suggestions to Dr. Weida Tong at 870-543-7142 or weida.tong@fda.hhs.gov.
EDKB is a product designed and produced by the National Center for Toxicological Research (NCTR). FDA and NCTR retain ownership of this product.