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Chemistry Dashboard Data: Physprop Analysis

posted on 2018-05-10, 18:18 authored by EPA's National Center for Computational Toxicology
The data associated with the publication “An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling” represents the curated data associated with the OPERA models used to predicted properties for the CompTox Chemistry Data. The data include the training and test data sets as well as the KNIME workflows used to perform the curation of the data. For a full understanding of the data and workflows we recommend accessing the publication also.