Chemistry Dashboard Data: Physprop Analysis
收藏epa.figshare.com2022-11-15 更新2025-01-15 收录
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https://epa.figshare.com/articles/dataset/PHYSPROP_Analysis_File_12_14_2016/5588578/2
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资源简介：
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.
与出版物《用于QSAR建模的公共数据集中化学错误和不一致性自动校准程序》相关联的数据，代表了用于预测CompTox化学数据属性的OPERA模型所关联的校准数据。这些数据包括训练和测试数据集，以及用于数据校准的KNIME工作流。为了全面理解数据和流程，我们建议查阅相关出版物。
提供机构：
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure
