10.23645/epacomptox.5588578.v2
EPA's National Center for Computational Toxicology
EPA's National Center for Computational
Toxicology
Chemistry Dashboard Data: Physprop Analysis
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure
2018
PHYSPROP
NCCT
Computational Toxicology
Chemistry Dashboard
Toxicology
2018-05-10 18:18:26
Dataset
https://epa.figshare.com/articles/dataset/PHYSPROP_Analysis_File_12_14_2016/5588578
The data associated with the publication <a href="http://dx.doi.org/10.1080/1062936X.2016.1253611" target="_blank">“An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling”</a> 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.